Organic acids and derivatives
Ethyl 4,4,4-trifluoro-2-butynoate, 97%
CAS: 79424-03-6 Molecular Formula: C6H5F3O2 Molecular Weight (g/mol): 166.099 MDL Number: MFCD00192167 InChI Key: SFDRHPQGYUYYNX-UHFFFAOYSA-N PubChem CID: 3597254 IUPAC Name: ethyl 4,4,4-trifluorobut-2-ynoate SMILES: CCOC(=O)C#CC(F)(F)F
Indole-6-boronic acid, 98%
CAS: 147621-18-9 Molecular Formula: C8H8BNO2 Molecular Weight (g/mol): 160.97 MDL Number: MFCD03095176 InChI Key: ZVMHOIWRCCZGPZ-UHFFFAOYSA-N Synonym: indole-6-boronic acid,6-indolylboronic acid,1h-indol-6-yl boronic acid,6-indoleboronic acid,indole-6-boronicacid,1h-indol-6-yl-6-boronic acid,6-borono-1h-indole,6-indole boronic acid,6-boronoindole,1h-indole-6-boronic acid PubChem CID: 2763205 IUPAC Name: 1H-indol-6-ylboronic acid SMILES: OB(O)C1=CC=C2C=CNC2=C1
4-(Diethylcarbamoyl)benzeneboronic acid, 98%, Thermo Scientific Chemicals
CAS: 389621-80-1 Molecular Formula: C11H16BNO3 Molecular Weight (g/mol): 221.06 MDL Number: MFCD03411949 InChI Key: ZCGVBHIMRVYWOH-UHFFFAOYSA-N Synonym: 4-n,n-diethylaminocarbonyl phenylboronic acid,4-diethylcarbamoyl phenylboronic acid,4-diethylcarbamoyl phenyl boronic acid,4-diethylcarbamoyl benzeneboronic acid,boronic acid, 4-diethylamino carbonyl phenyl,4-diethylaminocarbonyl phenylboronic acid,acmc-209j2q,amtb302,n,n-diethyl 4-boronobenzamide,4-diethylcarbamoyl benzeneboronic acid PubChem CID: 2773375 IUPAC Name: [4-(diethylcarbamoyl)phenyl]boronic acid SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)B(O)O
4-(Boc-aminomethyl)benzeneboronic acid, 95%
CAS: 489446-42-6 Molecular Formula: C12H18BNO4 Molecular Weight (g/mol): 251.09 MDL Number: MFCD04115637 InChI Key: MUBGEKQUCSEECZ-UHFFFAOYSA-N Synonym: 4-n-boc-aminomethyl phenylboronic acid,4-n-boc-amino methyl phenylboronic acid,4-tert-butoxycarbonyl amino methyl phenyl boronic acid,4-n-boc aminomethylphenylboronic acid,4-tert-butoxycarbonylaminomethyl phenylboronic acid,4-2-methylpropan-2-yl oxycarbonylamino methyl phenyl boronic acid,4-boc-aminomethyl benzeneboronic acid,4-aminomethyl benzeneboronic acid, n-boc protected,4-tert-butoxycarbonylamino methyl phenylboronic acid PubChem CID: 3863163 IUPAC Name: [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)B(O)O
1-Methyl-1H-pyrazole-3-carboxylic acid, 96%
CAS: 25016-20-0 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00464254 InChI Key: YBFIKNNFQIBIQZ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid PubChem CID: 573176 ChEBI: CHEBI:74738 IUPAC Name: 1-methylpyrazole-3-carboxylic acid SMILES: CN1C=CC(=N1)C(O)=O
Diethyl (3-aminopropyl)phosphonate, 95%, Thermo Scientific Chemicals
CAS: 4402-24-8 Molecular Formula: C7H18NO3P Molecular Weight (g/mol): 195.20 MDL Number: MFCD11110596 InChI Key: DQORFBNFNLHVIM-UHFFFAOYSA-N Synonym: diethyl 3-aminopropyl phosphonate,diethyl 3-aminopropylphosphonate,3-aminopropyl phosphonic acid diethyl ester,diethyl aminopropyl phosphonate,3-aminopropylphosphonic acid diethyl ester,3-aminopropanephosphonic acid diethyl ester,3-amino-propyl-phosphonic acid diethyl ester,diethyl 3-aminopropyl phosphonate 250mg,phosphonic acid, 3-aminopropyl-, diethyl ester PubChem CID: 78113 IUPAC Name: 3-diethoxyphosphorylpropan-1-amine SMILES: CCOP(=O)(CCCN)OCC
1-(Cyclopropylcarbonyl)piperazine, 97%, Thermo Scientific Chemicals
CAS: 59878-57-8 Molecular Formula: C8H15N2O Molecular Weight (g/mol): 155.22 MDL Number: MFCD06369645 InChI Key: KIALFUYSJAAJSU-UHFFFAOYSA-O Synonym: 1-cyclopropylcarbonyl piperazine,cyclopropyl piperazin-1-yl methanone,1-cyclopropanecarbonylpiperazine,cyclopropyl-piperazin-1-yl-methanone,1-cyclopropanecarbonyl piperazine,piperazine, 1-cyclopropylcarbonyl,piperazinocyclopropyl ketone,cyclopropyl piperazinyl ketone,1-cyclopropylcarbonylpiperazine,4-cyclopropanecarbonyl-piperazine PubChem CID: 2064235 IUPAC Name: cyclopropyl(piperazin-1-yl)methanone SMILES: O=C(C1CC1)N1CC[NH2+]CC1
(+)-Di-tert-butyl L-tartrate, 99%
CAS: 117384-45-9 Molecular Formula: C12H22O6 Molecular Weight (g/mol): 262.30 MDL Number: MFCD00192000 InChI Key: ITWOKJQQGHCDBL-UHFFFAOYNA-N Synonym: +-di-tert-butyl l-tartrate,di-tert-butyl l-+-tartrate,2r,3r-di-tert-butyl 2,3-dihydroxysuccinate,di-t-butyl l-tartrate,r,r-di-tert-butyl-tartrat,di-tert-butyll-+-tartrate,l-tartaric acid di-tert-butyl ester,l-+-tartaric acid di-tert-butyl ester,1,4-di-tert-butyl 2r,3r-2,3-dihydroxybutanedioate PubChem CID: 9943166 IUPAC Name: ditert-butyl (2R,3R)-2,3-dihydroxybutanedioate SMILES: CC(C)(C)OC(=O)C(O)C(O)C(=O)OC(C)(C)C
N-Methylisatoic anhydride, tech. 90%
CAS: 10328-92-4 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD00006815 InChI Key: KJMRWDHBVCNLTQ-UHFFFAOYSA-N Synonym: n-methylisatoic anhydride,1-methyl-1h-benzo d 1,3 oxazine-2,4-dione,n-methyl ia,1-methyl-2h-3,1-benzoxazine-2,4 1h-dione,2h-3,1-benzoxazine-2,4 1h-dione, 1-methyl,n-methyl-n-carboxyanthranilic anhydride,methyl-n-carboxyanthranilic anhydride,1-methylbenzo d 1,3-oxazine-2,4-dione,n-methyl isotoic anhydride,1-methyl-2,4-dihydro-1h-3,1-benzoxazine-2,4-dione PubChem CID: 25160 ChEBI: CHEBI:59054 IUPAC Name: 1-methyl-3,1-benzoxazine-2,4-dione SMILES: CN1C2=CC=CC=C2C(=O)OC1=O
beta-D-Ribofuranose 1,2,3,5-tetraacetate, 98+%
CAS: 13035-61-5 Molecular Formula: C13H18O9 Molecular Weight (g/mol): 318.278 MDL Number: MFCD00005358 InChI Key: IHNHAHWGVLXCCI-FDYHWXHSSA-N Synonym: beta-d-ribofuranose 1,2,3,5-tetraacetate,tetra-o-acetyl-beta-d-ribofuranose,1,2,3,5-tetra-o-acetyl-beta-d-ribofuranose,tetraacetylribose,1,2,3,5-tetraacetyl-.-d-ribofuranose,tetra-o-acetyl-b-d-ribofuranose,1,2,3,5-tetraacetyl-beta-d-ribofuranose,1,2,3,5-tetra-o-acetyl-b-d-ribofuranose,.beta.-d-ribofuranose, tetraacetate,ribofuranose, tetraacetate, .beta.-d PubChem CID: 83064 IUPAC Name: [(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C
Ethyl cyclohexylideneacetate, 98%
CAS: 1552-92-7 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00017627,MFCD00963857 InChI Key: MCWDXHYYYNGYGK-UHFFFAOYSA-N Synonym: ethyl cyclohexylideneacetate,acetic acid, cyclohexylidene-, ethyl ester,ethyl 2-cyclohexylidenacetate,cyclohexylideneacetic acid ethyl ester,ethoxycarbonylmethylenecyclohexane,.delta.1,.alpha.-cyclohexaneacetic acid, ethyl ester,acmc-20ahxr,ethylcyclohexylidenacetate,.delta.1, ethyl ester,ethyl2-cyclohexylideneacetate PubChem CID: 73776 IUPAC Name: ethyl 2-cyclohexylideneacetate SMILES: CCOC(=O)C=C1CCCCC1
1-Phenylcyclopropanecarboxylic acid, 97%
CAS: 6120-95-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00001288 InChI Key: IWWCCNVRNHTGLV-UHFFFAOYSA-N Synonym: 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid PubChem CID: 80206 IUPAC Name: 1-phenylcyclopropane-1-carboxylic acid SMILES: C1CC1(C2=CC=CC=C2)C(=O)O
1H-Pyrazole-3-boronic acid pinacol ester, 95%
CAS: 844501-71-9 Molecular Formula: C9H15BN2O2 Molecular Weight (g/mol): 194.041 MDL Number: MFCD07368044 InChI Key: KWLOIDOKWUESNM-UHFFFAOYSA-N Synonym: 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1h-pyrazole-3-boronic acid pinacol ester,pyrazole-3-boronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-pyrazole,3-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole,1h-pyrazole-5-boronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxabolone-pyrrazole,1h-pyrazol-3-yl-boronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolone-pyrrazole PubChem CID: 21931539 IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2
(1S,2R)-cis-4-Cyclohexene-1,2-dicarboxylic acid 1-monomethyl ester, 98%
CAS: 88335-93-7 Molecular Formula: C9H12O4 Molecular Weight (g/mol): 184.19 MDL Number: MFCD00757425,MFCD00075490 InChI Key: MYYLMIDEMAPSGH-UHFFFAOYNA-N Synonym: 1s,2r-1-methyl cis-1,2,3,6-tetrahydrophthalate,1r,6s-6-methoxycarbonyl cyclohex-3-enecarboxylic acid,1r,6s-6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid,1r,6s-6-methoxycarbonyl cyclohex-3-ene-1-carboxylic acid,1s,2r-1-methyl cis-4-cyclohexene-1,2-dicarboxylate,1r,6s-6-methoxycarbonyl-1-cyclohex-3-enecarboxylic acid,1s,2r-1-methylcis-1,2,3,6-tetrahydrophthalate,2-hydrogen 1-methyl 1s,2r-1,2,3,6-tetrahydrophthalate,1 r,6s-6-methoxycarbonyl-3-cyclohexene-1-carboxylic acid,1r, 2s-2-methoxycarbonylcyclohex-4-ene-1-carboxylic acid PubChem CID: 5325907 IUPAC Name: (1R,6S)-6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid SMILES: COC(=O)C1CC=CCC1C(O)=O
3,5-Dimethoxybenzeneboronic acid, 98%
CAS: 192182-54-0 Molecular Formula: C8H11BO4 Molecular Weight (g/mol): 181.982 MDL Number: MFCD03095127 InChI Key: XUIURRYWQBBCCK-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzeneboronic acid,3,5-dimethoxyphenyl boronic acid,3,5-dimethoxyphenylboronicacid,boronic acid, 3,5-dimethoxyphenyl,pubchem1827,acmc-1c82c,ksc174i6h,3,5-dimethoxy phenyl boronic acid,3,5-dimethoxyphenylboronic acid,boronic acid, b-3,5-dimethoxyphenyl PubChem CID: 4374257 IUPAC Name: (3,5-dimethoxyphenyl)boronic acid SMILES: B(C1=CC(=CC(=C1)OC)OC)(O)O