Organoheterocyclic compounds
Biphenyl-4,4'-diboronic acid bis(pinacol) ester, 95%
CAS: 207611-87-8 Molecular Formula: C24H32B2O4 Molecular Weight (g/mol): 406.14 MDL Number: MFCD08669545 InChI Key: INNVTCAYPFZCAL-UHFFFAOYSA-N Synonym: 4,4'-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1,1'-biphenyl,4,4'-biphenyldiboronic acid dipinacol ester,4,4'-biphenyldiboronic acid pinacol ester,4,4'-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl biphenyl,biphenyl-4,4'-diboronic acid bis pinacol ester,4,4'-biphenyldiboronic acid bis pinacol ester,4,4,5,5-tetramethyl-2-4'-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1,1'-biphenyl-4-yl-1,3,2-dioxaborolane,amtb257,4,4'-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl biphenyl PubChem CID: 10525359 IUPAC Name: 4,4,5,5-tetramethyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1
2-Methylamino-3-methylpyridine-5-boronic acid pinacol ester, 96%
CAS: 1111637-92-3 Molecular Formula: C13H21BN2O2 Molecular Weight (g/mol): 248.133 MDL Number: MFCD12923387 InChI Key: VZNAKHVRKWXDMU-UHFFFAOYSA-N Synonym: n,3-dimethyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-amine,2-methylamino-3-methylpyridine-5-boronic acid pinacol ester,2-n-methylamino-3-methylpyridine-5-boronic acid pinacol ester,5-methyl-6-methylamino pyridine-3-boronic acid pinacol ester,methyl-3-methyl-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridin-2-yl-amine,n,3-dimethyl-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridin-2-amine,n,3-dimethyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2-pyridinamine,n-methyl-3-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-amine PubChem CID: 57416512 IUPAC Name: N,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)NC)C
1,6-Bismaleimidohexane, 97%
CAS: 4856-87-5 Molecular Formula: C14H16N2O4 Molecular Weight (g/mol): 276.292 MDL Number: MFCD00047122 InChI Key: PYVHLZLQVWXBDZ-UHFFFAOYSA-N Synonym: 1,6-bismaleimidohexane,1,6-dimaleimidohexane,n,n'-hexamethylenedimaleimide,1,6-bis maleimido hexane,1,1'-hexane-1,6-diyl bis 1h-pyrrole-2,5-dione,1h-pyrrole-2,5-dione, 1,1'-1,6-hexanediyl bis,maleimide, n,n'-hexamethylenedi,n,n'-hexamethylenebis maleimide,1,1'-1,6-hexanediyl bis-1h-pyrrole-2,5-dione PubChem CID: 20992 IUPAC Name: 1-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione SMILES: C1=CC(=O)N(C1=O)CCCCCCN2C(=O)C=CC2=O
Methyl isonicotinate, 98%
CAS: 9-8-2459 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006427 InChI Key: OLXYLDUSSBULGU-UHFFFAOYSA-N Synonym: methyl isonicotinate,isonicotinic acid methyl ester,4-pyridinecarboxylic acid, methyl ester,4-picolinic acid methyl ester,4-methoxycarbonylpyridine,methylisonicotinate,methyl 4-pyridinecarboxylate,4-carbomethoxypyridine,isonicotinic acid, methyl ester,i-nicotinic acid, methyl ester PubChem CID: 227085 IUPAC Name: methyl pyridine-4-carboxylate SMILES: COC(=O)C1=CC=NC=C1
1-Ethyl-3-methylimidazolium hydrogen sulfate, 98%
CAS: 412009-61-1 Molecular Formula: C6H12N2O4S Molecular Weight (g/mol): 208.23 MDL Number: MFCD06798195 InChI Key: HZKDSQCZNUUQIF-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium hydrogen sulfate,1-ethyl-3-methylimidazolium hydrogensulfate,basionics™ ac 25,acmc-209jj9,dsstox_cid_29156,dsstox_rid_83375,dsstox_gsid_49300,1-ethyl-3-methylimidazoliumhydrogensulfate,1-methyl-3-ethylimidazolium hydrogensulfate,1h-imidazolium,1-ethyl-3-methyl-,sulfate 1:1 PubChem CID: 16217215 SMILES: OS([O-])(=O)=O.CCN1C=C[N+](C)=C1
1-Boc-3-fluoro-4-pyrrolidinone
CAS: 845894-03-3 Molecular Formula: C9H14FNO3 Molecular Weight (g/mol): 203.21 MDL Number: MFCD08274459 InChI Key: HPHVNLXMQXEDFX-UHFFFAOYNA-N Synonym: 1-boc-3-fluoro-4-pyrrolidinone,boc-3-fluoro-4-oxopyrrolidine,3-fluoro-4-oxopyrrolidine-1-carboxylic acid tert-butyl ester,1-boc-4-fluoro-3-pyrrolidinone,n-t-boc-3-fluoro-4-oxopyrrolidine,tert-butyl3-fluoro-4-oxopyrrolidine-1-carboxylate PubChem CID: 45158916 IUPAC Name: tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CC(F)C(=O)C1
1-n-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, 98%
CAS: 223437-11-4 Molecular Formula: C11H20F6N2O4S2 Molecular Weight (g/mol): 422.40 MDL Number: MFCD07784447 InChI Key: HSLXOARVFIWOQF-UHFFFAOYSA-N Synonym: 1-butyl-1-methylpyrrolidinium bis trifluoromethylsulfonyl imide,unii-fd74dkk1wh,fd74dkk1wh,1-butyl-1-methylpyrrolidinium bis trifluoromethanesulfonyl imide,1-butyl-1-methylpyrrolidin-1-ium bis trifluoromethyl sulfonyl amide,1-butyl-1-methylpyrrolidin-1-ium; bistriflylimide anion,dsstox_cid_27944,dsstox_rid_82696,dsstox_gsid_47968,pyrrolidinium, 1-butyl-1-methyl-, salt with 1,1,1-trifluoro-n-trifluoromethyl sulfonyl methanesulfonamide 1:1 PubChem CID: 11048104 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium SMILES: CCCC[N+]1(C)CCCC1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Imidazole-4-carboxaldehyde, 97%
CAS: 3034-50-2 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00173726 InChI Key: ZQEXIXXJFSQPNA-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carbaldehyde,imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde,imidazole-4-carboxaldehyde,4-imidazolecarboxaldehyde,4-formylimidazole,4 5-imidazolecarboxaldehyde,3h-imidazole-4-carbaldehyde,4-formyl-1h-imidazole,imidazole-5-carbaldehyde PubChem CID: 76428 IUPAC Name: 1H-imidazole-5-carbaldehyde SMILES: C1=C(NC=N1)C=O
2-Amino-4-hydroxy-6-methylpyrimidine, 98%
CAS: 3977-29-5 Molecular Formula: C5H7N3O Molecular Weight (g/mol): 125.131 MDL Number: MFCD00006095 InChI Key: KWXIPEYKZKIAKR-UHFFFAOYSA-N Synonym: 2-amino-4-hydroxy-6-methylpyrimidine,2-amino-6-methylpyrimidin-4-ol,6-methylisocytosine,mecytosine,2-amino-6-methylpyrimidin-4 3h-one,superacil,superacyl,4-methylisocytosine,2-amino-6-hydroxy-4-methylpyrimidine,2-amino-6-methyl-4-pyrimidinol PubChem CID: 1532 ChEBI: CHEBI:58959 IUPAC Name: 2-amino-6-methyl-1H-pyrimidin-4-one SMILES: CC1=CC(=O)N=C(N1)N
6-Amino-3-cyano-2-methylpyridine, 97%
CAS: 183428-90-2 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.154 MDL Number: MFCD05865116 InChI Key: OZAIJUZOQOBQDW-UHFFFAOYSA-N Synonym: 6-amino-2-methylnicotinonitrile,6-amino-3-cyano-2-methylpyridine,2-amino-5-cyano-6-methylpyridine,3-pyridinecarbonitrile, 6-amino-2-methyl,6-amino-2-methyl-nicotinonitrile,pubchem14519,acmc-20ahz0,6-amino-2-methyl-pyridine-3-carbonitrile,6-amino-2-methyl nicotinonitrile,2-methyl-3-cyano-6-amino-pyridine PubChem CID: 2794662 IUPAC Name: 6-amino-2-methylpyridine-3-carbonitrile SMILES: CC1=C(C=CC(=N1)N)C#N
2-Bromo-3-(trifluoromethyl)pyridine, 98%
CAS: 175205-82-0 Molecular Formula: C6H3BrF3N Molecular Weight (g/mol): 225.996 MDL Number: MFCD00153084 InChI Key: OFGSIPQYQUVVPL-UHFFFAOYSA-N Synonym: 2-bromo-3-trifluoromethyl pyridine,2-bromo-3-trifluorormethyl pyridine,pyridine, 2-bromo-3-trifluoromethyl,2-bromo-3-trifluormethyl-pyridine,pubchem2999,acmc-1bx8n,ksc174i2d,tpc-py049,buttpark 27\06-85 PubChem CID: 5193820 IUPAC Name: 2-bromo-3-(trifluoromethyl)pyridine SMILES: C1=CC(=C(N=C1)Br)C(F)(F)F
2,3-Difluoro-5-(trifluoromethyl)pyridine, 98%
CAS: 89402-42-6 Molecular Formula: C6H2F5N Molecular Weight (g/mol): 183.08 MDL Number: MFCD04972837 InChI Key: XIFCGIKPAAZFFS-UHFFFAOYSA-N Synonym: 2,3-difluoro-5-trifluoromethyl pyridine,2,3-difluoro-5-trifluoromethyl-pyridine,pyridine,2,3-difluoro-5-trifluoromethyl,pyridine, 2,3-difluoro-5-trifluoromethyl,acmc-20dwi8,2,3-di-fluoro-5-trifluoromethyl pyridine,alpha,alpha,alpha,5,6-pentafluoro-3-picoline,2,3-bis fluoranyl-5-trifluoromethyl pyridine PubChem CID: 13421547 IUPAC Name: 2,3-difluoro-5-(trifluoromethyl)pyridine SMILES: FC1=C(F)N=CC(=C1)C(F)(F)F
5-Chloro-1,3-benzodioxole, 98%
CAS: 7228-38-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00010842 InChI Key: ODQPZHOXLYATLC-UHFFFAOYSA-N PubChem CID: 138966 IUPAC Name: 5-chloro-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)Cl
2-Hydroxypyridine-N-oxide, 97%
CAS: 13161-30-3 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 InChI Key: SNUSZUYTMHKCPM-UHFFFAOYSA-N Synonym: 2-pyridinol-1-oxide,2-hydroxypyridine 1-oxide,2-hydroxypyridine n-oxide,1-hydroxypyridin-2 1h-one,2-hydroxypyridine-n-oxide,hydroxypyridinone,pyridinol, 1-oxide,2-pyridinol 1-oxide,1-hydroxy-2-pyridone,1-hydroxy-1,2-dihydropyridin-2-one PubChem CID: 69975 IUPAC Name: 1-hydroxypyridin-2-one SMILES: C1=CC(=O)N(C=C1)O
3-Ethyl-3-oxetanemethanol, 97%
CAS: 3047-32-3 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00190143 InChI Key: UNMJLQGKEDTEKJ-UHFFFAOYSA-N Synonym: 3-ethyl-3-oxetanemethanol,3-ethyloxetan-3-yl methanol,3-oxetanemethanol, 3-ethyl,3-ethyloxetane-3-methanol,unii-622325vbyo,3-ethyl-3-hydroxymethyloxetane,3-hydroxymethyl-3-ethyloxetane,3-ethyl-3-hydroxymethyl oxetane,3-ethyl-oxetan-3-yl-methanol,2-hydroxymethyl-2-ethyl-1,3-epoxypropane PubChem CID: 76444 IUPAC Name: (3-ethyloxetan-3-yl)methanol SMILES: CCC1(COC1)CO