Organoheterocyclic compounds
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Cytochalasin B, MP Biomedicals™
CAS: 14930-96-2 Molecular Formula: C29H37NO5 Molecular Weight (g/mol): 479.62 MDL Number: MFCD00077704 InChI Key: GBOGMAARMMDZGR-UHFFFAOYNA-N Synonym: cytochalasin b,cytochalasin b from helminthosporium dematioideum PubChem CID: 44634701 IUPAC Name: 16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,12aH,13H,14H,15H,15aH,16H,17H,18H-oxacyclotetradeca[3,2-e]isoindole-2,18-dione SMILES: CC1C2C(CC3=CC=CC=C3)NC(=O)C22OC(=O)C=CC(O)CCCC(C)CC=CC2C(O)C1=C
| PubChem CID | 44634701 |
|---|---|
| CAS | 14930-96-2 |
| Molecular Weight (g/mol) | 479.62 |
| MDL Number | MFCD00077704 |
| SMILES | CC1C2C(CC3=CC=CC=C3)NC(=O)C22OC(=O)C=CC(O)CCCC(C)CC=CC2C(O)C1=C |
| Synonym | cytochalasin b,cytochalasin b from helminthosporium dematioideum |
| IUPAC Name | 16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,12aH,13H,14H,15H,15aH,16H,17H,18H-oxacyclotetradeca[3,2-e]isoindole-2,18-dione |
| InChI Key | GBOGMAARMMDZGR-UHFFFAOYNA-N |
| Molecular Formula | C29H37NO5 |
Thermo Scientific Chemicals 1,6-Anhydro-beta-D-glucopyranose, 99+%
CAS: 498-07-7 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00063248 InChI Key: TWNIBLMWSKIRAT-UHFFFAOYNA-N Synonym: 1,6-anhydro-beta-d-glucopyranose,levoglucosan,leucoglucosan,1,6-anhydro-beta-d-glucose,1,6-anhydro-beta-glucopyranose,glucosan,1,6-anhydroglucose,unii-5132n17fsd,anhydroglucose,1,6-anhydro-d-glucose PubChem CID: 2724705 ChEBI: CHEBI:30997 SMILES: OC1C2COC(O2)C(O)C1O
| PubChem CID | 2724705 |
|---|---|
| CAS | 498-07-7 |
| Molecular Weight (g/mol) | 162.14 |
| ChEBI | CHEBI:30997 |
| MDL Number | MFCD00063248 |
| SMILES | OC1C2COC(O2)C(O)C1O |
| Synonym | 1,6-anhydro-beta-d-glucopyranose,levoglucosan,leucoglucosan,1,6-anhydro-beta-d-glucose,1,6-anhydro-beta-glucopyranose,glucosan,1,6-anhydroglucose,unii-5132n17fsd,anhydroglucose,1,6-anhydro-d-glucose |
| InChI Key | TWNIBLMWSKIRAT-UHFFFAOYNA-N |
| Molecular Formula | C6H10O5 |
4-(1H-Pyrazol-1-ylmethyl)benzoic acid, ≥97%, Thermo Scientific™
CAS: 160388-53-4 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD07186451 InChI Key: ZHQQRHUITAFMTC-UHFFFAOYSA-N PubChem CID: 6484268 IUPAC Name: 4-(pyrazol-1-ylmethyl)benzoic acid SMILES: C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)O
| PubChem CID | 6484268 |
|---|---|
| CAS | 160388-53-4 |
| Molecular Weight (g/mol) | 202.213 |
| MDL Number | MFCD07186451 |
| SMILES | C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)O |
| IUPAC Name | 4-(pyrazol-1-ylmethyl)benzoic acid |
| InChI Key | ZHQQRHUITAFMTC-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O2 |
3-Fluoroazetidine hydrochloride, 95%
CAS: 617718-46-4 Molecular Formula: C3H7ClFN Molecular Weight (g/mol): 111.544 MDL Number: MFCD05663715 InChI Key: PXFUWRWCKSLCLS-UHFFFAOYSA-N Synonym: 3-fluoroazetidine hydrochloride,3-fluoroazetidine hcl,3-fluoroazetidinehydrochloride,azetidine, 3-fluoro-, hydrochloride,3-fluoroazetane hydrochloride,acmc-20dlgf,c3h6fn.hcl,ksc941o8n,3-fluoro-azetidine hydrochloride,3-fluoroazetidine hcl salt PubChem CID: 10125054 IUPAC Name: 3-fluoroazetidine;hydrochloride SMILES: C1C(CN1)F.Cl
| PubChem CID | 10125054 |
|---|---|
| CAS | 617718-46-4 |
| Molecular Weight (g/mol) | 111.544 |
| MDL Number | MFCD05663715 |
| SMILES | C1C(CN1)F.Cl |
| Synonym | 3-fluoroazetidine hydrochloride,3-fluoroazetidine hcl,3-fluoroazetidinehydrochloride,azetidine, 3-fluoro-, hydrochloride,3-fluoroazetane hydrochloride,acmc-20dlgf,c3h6fn.hcl,ksc941o8n,3-fluoro-azetidine hydrochloride,3-fluoroazetidine hcl salt |
| IUPAC Name | 3-fluoroazetidine;hydrochloride |
| InChI Key | PXFUWRWCKSLCLS-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClFN |
5-Nitro-2-furonitrile, 97%
CAS: 59-82-5 Molecular Formula: C5H2N2O3 Molecular Weight (g/mol): 138.08 MDL Number: MFCD00082647 InChI Key: DUJNJLFQOODDNJ-UHFFFAOYSA-N Synonym: 5-nitro-2-furonitrile,5-nitro-2-furancarbonitrile,unii-e63b56v8ya,2-furancarbonitrile, 5-nitro,5-nitro-2-cyanofuran,5-nitro-2-furonitril,2-nitrofuran-5-carbonitrile,acmc-1an56,5-nitro-furan-2-carbonitrile,2-furancarbonitrile,5-nitro PubChem CID: 94881 IUPAC Name: 5-nitrofuran-2-carbonitrile SMILES: [O-][N+](=O)C1=CC=C(O1)C#N
| PubChem CID | 94881 |
|---|---|
| CAS | 59-82-5 |
| Molecular Weight (g/mol) | 138.08 |
| MDL Number | MFCD00082647 |
| SMILES | [O-][N+](=O)C1=CC=C(O1)C#N |
| Synonym | 5-nitro-2-furonitrile,5-nitro-2-furancarbonitrile,unii-e63b56v8ya,2-furancarbonitrile, 5-nitro,5-nitro-2-cyanofuran,5-nitro-2-furonitril,2-nitrofuran-5-carbonitrile,acmc-1an56,5-nitro-furan-2-carbonitrile,2-furancarbonitrile,5-nitro |
| IUPAC Name | 5-nitrofuran-2-carbonitrile |
| InChI Key | DUJNJLFQOODDNJ-UHFFFAOYSA-N |
| Molecular Formula | C5H2N2O3 |
Tetrahydropalmatine, 98%
CAS: 2934-97-6 Molecular Formula: C21H25NO4 Molecular Weight (g/mol): 355.434 MDL Number: MFCD00214191 InChI Key: AEQDJSLRWYMAQI-UHFFFAOYSA-N Synonym: tetrahydropalmatine,rotundine,tetrahydropalmatin,rotundinum,2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6h-isoquino 3,2-a isoquinoline,corydalis b,6h-dibenzo a,g quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy,gnf-pf-3943,tetrahydropalmatine hydrochloride,2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5h-isoquinolino 2,1-b isoquinoline PubChem CID: 5417 IUPAC Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
| PubChem CID | 5417 |
|---|---|
| CAS | 2934-97-6 |
| Molecular Weight (g/mol) | 355.434 |
| MDL Number | MFCD00214191 |
| SMILES | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
| Synonym | tetrahydropalmatine,rotundine,tetrahydropalmatin,rotundinum,2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6h-isoquino 3,2-a isoquinoline,corydalis b,6h-dibenzo a,g quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy,gnf-pf-3943,tetrahydropalmatine hydrochloride,2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5h-isoquinolino 2,1-b isoquinoline |
| IUPAC Name | 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
| InChI Key | AEQDJSLRWYMAQI-UHFFFAOYSA-N |
| Molecular Formula | C21H25NO4 |
1-n-Hexyl-3-methylimidazolium chloride, 98%
CAS: 171058-17-6 Molecular Formula: C10H19N2 Molecular Weight (g/mol): 167.28 MDL Number: MFCD03093289 InChI Key: RVEJOWGVUQQIIZ-UHFFFAOYSA-N Synonym: 1-hexyl-3-methylimidazolium chloride,hmimcl,1-hexyl-3-methyl-1h-imidazol-3-ium chloride,1-hexyl-3-methylimidazol-3-ium chloride,hmim cl,acmc-209e2c,dsstox_cid_27924,dsstox_rid_82677,dsstox_gsid_47948,ksc491c7f PubChem CID: 2734163 ChEBI: CHEBI:61340 IUPAC Name: 1-hexyl-3-methylimidazol-3-ium;chloride SMILES: CCCCCC[N+]1=CN(C)C=C1
| PubChem CID | 2734163 |
|---|---|
| CAS | 171058-17-6 |
| Molecular Weight (g/mol) | 167.28 |
| ChEBI | CHEBI:61340 |
| MDL Number | MFCD03093289 |
| SMILES | CCCCCC[N+]1=CN(C)C=C1 |
| Synonym | 1-hexyl-3-methylimidazolium chloride,hmimcl,1-hexyl-3-methyl-1h-imidazol-3-ium chloride,1-hexyl-3-methylimidazol-3-ium chloride,hmim cl,acmc-209e2c,dsstox_cid_27924,dsstox_rid_82677,dsstox_gsid_47948,ksc491c7f |
| IUPAC Name | 1-hexyl-3-methylimidazol-3-ium;chloride |
| InChI Key | RVEJOWGVUQQIIZ-UHFFFAOYSA-N |
| Molecular Formula | C10H19N2 |
[2-(1-Piperidinylmethyl)phenyl]magnesium bromide, 0.25M solution in THF, AcroSeal™
CAS: 480424-81-5 Molecular Formula: C12H16BrMgN Molecular Weight (g/mol): 278.48 MDL Number: MFCD03840894 InChI Key: SQFASMRVZVXQCK-UHFFFAOYSA-M Synonym: bromo 2-1-piperidinylmethyl phenyl magnesium,1-2-bromomagnesio phenyl methyl piperidine,2-1-piperidinylmethyl phenyl magnesium bromide solution,2-1-piperidino methyl phenylmagnesium bromide,2-1-piperidinylmethyl phenyl magnesiu,2-1-piperidinylmethyl phenyl magnesium bromide solution, 0.25 m in thf,2-1-piperidino methyl phenylmagnesium bromide 0.25 m in tetrahydrofuran,2-1-piperidino methyl phenylmagnesium bromide, 0.25m in tetrahydrofuran,grignard reagent PubChem CID: 16217258 IUPAC Name: magnesium;1-(phenylmethyl)piperidine;bromide SMILES: Br[Mg]C1=C(CN2CCCCC2)C=CC=C1
| PubChem CID | 16217258 |
|---|---|
| CAS | 480424-81-5 |
| Molecular Weight (g/mol) | 278.48 |
| MDL Number | MFCD03840894 |
| SMILES | Br[Mg]C1=C(CN2CCCCC2)C=CC=C1 |
| Synonym | bromo 2-1-piperidinylmethyl phenyl magnesium,1-2-bromomagnesio phenyl methyl piperidine,2-1-piperidinylmethyl phenyl magnesium bromide solution,2-1-piperidino methyl phenylmagnesium bromide,2-1-piperidinylmethyl phenyl magnesiu,2-1-piperidinylmethyl phenyl magnesium bromide solution, 0.25 m in thf,2-1-piperidino methyl phenylmagnesium bromide 0.25 m in tetrahydrofuran,2-1-piperidino methyl phenylmagnesium bromide, 0.25m in tetrahydrofuran,grignard reagent |
| IUPAC Name | magnesium;1-(phenylmethyl)piperidine;bromide |
| InChI Key | SQFASMRVZVXQCK-UHFFFAOYSA-M |
| Molecular Formula | C12H16BrMgN |
Tetrahydro-beta-carboline, 98%
CAS: 16502-01-5 Molecular Formula: C11H13ClN2 Molecular Weight (g/mol): 208.69 MDL Number: MFCD00004954 InChI Key: PHLJRXUBLWEPCM-UHFFFAOYSA-N Synonym: tryptoline,2,3,4,9-tetrahydro-1h-pyrido 3,4-b indole,noreleagnine,1,2,3,4-tetrahydro-9h-pyrido 3,4-b indole,1,2,3,4-tetrahydro-beta-carboline,tetrahydro-beta-carboline,thbc,tetrahydronorharman,unii-65027tmi0h,1h,2h,3h,4h,9h-pyrido 3,4-b indole PubChem CID: 107838 IUPAC Name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole SMILES: [H+].[Cl-].C1CC2=C(CN1)NC1=CC=CC=C21
| PubChem CID | 107838 |
|---|---|
| CAS | 16502-01-5 |
| Molecular Weight (g/mol) | 208.69 |
| MDL Number | MFCD00004954 |
| SMILES | [H+].[Cl-].C1CC2=C(CN1)NC1=CC=CC=C21 |
| Synonym | tryptoline,2,3,4,9-tetrahydro-1h-pyrido 3,4-b indole,noreleagnine,1,2,3,4-tetrahydro-9h-pyrido 3,4-b indole,1,2,3,4-tetrahydro-beta-carboline,tetrahydro-beta-carboline,thbc,tetrahydronorharman,unii-65027tmi0h,1h,2h,3h,4h,9h-pyrido 3,4-b indole |
| IUPAC Name | 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
| InChI Key | PHLJRXUBLWEPCM-UHFFFAOYSA-N |
| Molecular Formula | C11H13ClN2 |
Pyrazinecarbonitrile, 99%
CAS: 19847-12-2 Molecular Formula: C5H3N3 Molecular Weight (g/mol): 105.10 MDL Number: MFCD00049361 InChI Key: PMSVVUSIPKHUMT-UHFFFAOYSA-N Synonym: pyrazinecarbonitrile,2-cyanopyrazine,cyanopyrazine,2-pyrazinecarbonitrile,pyrazinenitrile,pyrazinonitrile,2-cyanopyarine,2-cyano pyrazine PubChem CID: 73172 ChEBI: CHEBI:3982 IUPAC Name: pyrazine-2-carbonitrile SMILES: N#CC1=CN=CC=N1
| PubChem CID | 73172 |
|---|---|
| CAS | 19847-12-2 |
| Molecular Weight (g/mol) | 105.10 |
| ChEBI | CHEBI:3982 |
| MDL Number | MFCD00049361 |
| SMILES | N#CC1=CN=CC=N1 |
| Synonym | pyrazinecarbonitrile,2-cyanopyrazine,cyanopyrazine,2-pyrazinecarbonitrile,pyrazinenitrile,pyrazinonitrile,2-cyanopyarine,2-cyano pyrazine |
| IUPAC Name | pyrazine-2-carbonitrile |
| InChI Key | PMSVVUSIPKHUMT-UHFFFAOYSA-N |
| Molecular Formula | C5H3N3 |
1H-Benzimidazole-5-boronic acid pinacol ester, 97%
CAS: 1007206-54-3 Molecular Formula: C13H17BN2O2 Molecular Weight (g/mol): 244.10 MDL Number: MFCD11054041 InChI Key: HCWNKNYTHLBIHX-UHFFFAOYSA-N Synonym: 1h-benzimidazole-5-boronic acid pinacol ester,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzo d imidazole,1h-benzimidazole-5-boronic acid, pinacol ester,6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzimidazole,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzimidazole,6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzo d imidazole,1h-benzo d imidazole-5-boronic acid pinacol ester,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-1,3-benzodiazole,1h-benzimidazole, 6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-1,3-benzodiazole PubChem CID: 46738006 IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole SMILES: CC1(C)OB(OC1(C)C)C1=CC=C2N=CNC2=C1
| PubChem CID | 46738006 |
|---|---|
| CAS | 1007206-54-3 |
| Molecular Weight (g/mol) | 244.10 |
| MDL Number | MFCD11054041 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=C2N=CNC2=C1 |
| Synonym | 1h-benzimidazole-5-boronic acid pinacol ester,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzo d imidazole,1h-benzimidazole-5-boronic acid, pinacol ester,6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzimidazole,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzimidazole,6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-benzo d imidazole,1h-benzo d imidazole-5-boronic acid pinacol ester,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-1,3-benzodiazole,1h-benzimidazole, 6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-1,3-benzodiazole |
| IUPAC Name | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole |
| InChI Key | HCWNKNYTHLBIHX-UHFFFAOYSA-N |
| Molecular Formula | C13H17BN2O2 |
2-Chloro-4,6-dimethylpyridine-3-carbonitrile, 97%, Thermo Scientific™
CAS: 14237-71-9 Molecular Formula: C8H7ClN2 Molecular Weight (g/mol): 166.61 MDL Number: MFCD00051676 InChI Key: RETJKTAVEQPNMH-UHFFFAOYSA-N Synonym: 2-chloro-4,6-dimethylnicotinonitrile,2-chloro-3-cyano-4,6-dimethylpyridine,2-chloro-4,6-dimethyl-nicotinonitrile,2-chloro-4,6-dimethyl-3-pyridinecarbonitrile,3-pyridinecarbonitrile, 2-chloro-4,6-dimethyl,acmc-1azio,chlorodimethylnicotinonitrile,ksc496m6f,2-chloro-4,6-dimethyinicotinonitrile,4,6-dimethyl-2-chloro-nicotinonitrile PubChem CID: 223261 IUPAC Name: 2-chloro-4,6-dimethylpyridine-3-carbonitrile SMILES: CC1=CC(C)=C(C#N)C(Cl)=N1
| PubChem CID | 223261 |
|---|---|
| CAS | 14237-71-9 |
| Molecular Weight (g/mol) | 166.61 |
| MDL Number | MFCD00051676 |
| SMILES | CC1=CC(C)=C(C#N)C(Cl)=N1 |
| Synonym | 2-chloro-4,6-dimethylnicotinonitrile,2-chloro-3-cyano-4,6-dimethylpyridine,2-chloro-4,6-dimethyl-nicotinonitrile,2-chloro-4,6-dimethyl-3-pyridinecarbonitrile,3-pyridinecarbonitrile, 2-chloro-4,6-dimethyl,acmc-1azio,chlorodimethylnicotinonitrile,ksc496m6f,2-chloro-4,6-dimethyinicotinonitrile,4,6-dimethyl-2-chloro-nicotinonitrile |
| IUPAC Name | 2-chloro-4,6-dimethylpyridine-3-carbonitrile |
| InChI Key | RETJKTAVEQPNMH-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClN2 |
2,5-Dichlorothiophene-3-sulfonyl chloride, 97%
CAS: 56946-83-9 Molecular Formula: C4HCl3O2S2 Molecular Weight (g/mol): 251.52 MDL Number: MFCD00051665 InChI Key: JJKSHSHZJOWSEC-UHFFFAOYSA-N Synonym: 2,5-dichlorothiophene-3-sulphonyl chloride,2,5-dichloro-3-thiophenesulfonyl chloride,3-thiophenesulfonyl chloride, 2,5-dichloro,2,5-dichlorothiophene-3-sulfonic acid chloride,pubchem7412,2,5-dichlorothiophene-3-sulfonylchloride,acmc-1avwk,2,5-dichloro 3-thienyl chlorosulfone,2,5-dichloro-3-thienylsulfonyl chloride,2,5-dichlorothien-3-yl-sulfonyl chloride PubChem CID: 2736094 IUPAC Name: 2,5-dichlorothiophene-3-sulfonyl chloride SMILES: C1=C(SC(=C1S(=O)(=O)Cl)Cl)Cl
| PubChem CID | 2736094 |
|---|---|
| CAS | 56946-83-9 |
| Molecular Weight (g/mol) | 251.52 |
| MDL Number | MFCD00051665 |
| SMILES | C1=C(SC(=C1S(=O)(=O)Cl)Cl)Cl |
| Synonym | 2,5-dichlorothiophene-3-sulphonyl chloride,2,5-dichloro-3-thiophenesulfonyl chloride,3-thiophenesulfonyl chloride, 2,5-dichloro,2,5-dichlorothiophene-3-sulfonic acid chloride,pubchem7412,2,5-dichlorothiophene-3-sulfonylchloride,acmc-1avwk,2,5-dichloro 3-thienyl chlorosulfone,2,5-dichloro-3-thienylsulfonyl chloride,2,5-dichlorothien-3-yl-sulfonyl chloride |
| IUPAC Name | 2,5-dichlorothiophene-3-sulfonyl chloride |
| InChI Key | JJKSHSHZJOWSEC-UHFFFAOYSA-N |
| Molecular Formula | C4HCl3O2S2 |
N-BOC-3-pyrrolidinone, 97%
CAS: 101385-93-7 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.22 MDL Number: MFCD01631194 InChI Key: JSOMVCDXPUXKIC-UHFFFAOYSA-N Synonym: n-boc-3-pyrrolidinone,1-boc-3-pyrrolidinone,1-n-boc-3-pyrrolidinone,n-tert-butoxycarbonyl-3-pyrrolidinone,n-boc-pyrrolidine-3-one,boc-3-pyrrolidinone,1-boc-3-pyrrolidone,3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxopyrrolidinecarboxylate,1-tert-butoxycarbonyl-3-pyrrolidone PubChem CID: 471360 IUPAC Name: tert-butyl 3-oxopyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(=O)C1
| PubChem CID | 471360 |
|---|---|
| CAS | 101385-93-7 |
| Molecular Weight (g/mol) | 185.22 |
| MDL Number | MFCD01631194 |
| SMILES | CC(C)(C)OC(=O)N1CCC(=O)C1 |
| Synonym | n-boc-3-pyrrolidinone,1-boc-3-pyrrolidinone,1-n-boc-3-pyrrolidinone,n-tert-butoxycarbonyl-3-pyrrolidinone,n-boc-pyrrolidine-3-one,boc-3-pyrrolidinone,1-boc-3-pyrrolidone,3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxopyrrolidinecarboxylate,1-tert-butoxycarbonyl-3-pyrrolidone |
| IUPAC Name | tert-butyl 3-oxopyrrolidine-1-carboxylate |
| InChI Key | JSOMVCDXPUXKIC-UHFFFAOYSA-N |
| Molecular Formula | C9H15NO3 |
2,2'-Isopropylidenebis[(4S)-4-tert-butyl-2-oxazoline], 98%
CAS: 131833-93-7 Molecular Formula: C17H30N2O2 Molecular Weight (g/mol): 294.44 MDL Number: MFCD00192243 InChI Key: DPMGLJUMNRDNMX-UHFFFAOYNA-N Synonym: 4s,4's-2,2'-propane-2,2-diyl bis 4-tert-butyl-4,5-dihydrooxazole,s,s---2,2'-isopropylidenebis 4-tert-butyl-2-oxazoline,t-bu-box, s,s,2,2'-isopropylidenebis 4s-4-tert-butyl-2-oxazoline,s,s---2,2-bis 4-tert-butyl-2-oxazolin-2-yl propane,s,s---2,2-dimethylmethylene bis 4-tert-butyl-2-oxazoline,4s-4-tert-butyl-2-2-4s-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl propan-2-yl-4,5-dihydro-1,3-oxazole,4-tert-butyl-2-1-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl-1-methylethyl-4,5-dihydro-1,3-oxazole,s,s-t-bu-box PubChem CID: 688208 IUPAC Name: (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole SMILES: CC(C)(C)C1COC(=N1)C(C)(C)C1=NC(CO1)C(C)(C)C
| PubChem CID | 688208 |
|---|---|
| CAS | 131833-93-7 |
| Molecular Weight (g/mol) | 294.44 |
| MDL Number | MFCD00192243 |
| SMILES | CC(C)(C)C1COC(=N1)C(C)(C)C1=NC(CO1)C(C)(C)C |
| Synonym | 4s,4's-2,2'-propane-2,2-diyl bis 4-tert-butyl-4,5-dihydrooxazole,s,s---2,2'-isopropylidenebis 4-tert-butyl-2-oxazoline,t-bu-box, s,s,2,2'-isopropylidenebis 4s-4-tert-butyl-2-oxazoline,s,s---2,2-bis 4-tert-butyl-2-oxazolin-2-yl propane,s,s---2,2-dimethylmethylene bis 4-tert-butyl-2-oxazoline,4s-4-tert-butyl-2-2-4s-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl propan-2-yl-4,5-dihydro-1,3-oxazole,4-tert-butyl-2-1-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl-1-methylethyl-4,5-dihydro-1,3-oxazole,s,s-t-bu-box |
| IUPAC Name | (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole |
| InChI Key | DPMGLJUMNRDNMX-UHFFFAOYNA-N |
| Molecular Formula | C17H30N2O2 |