Phenylpropanoids and polyketides
MilliporeSigma™ 7-Amino-4-methylcoumarin, Calbiochem™,
CAS: 26093-31-2 Formule moléculaire: C10H9NO2 Poids moléculaire (g/mol): 175.19 Numéro MDL: MFCD00006868 Clé InChI: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonyme: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x CID PubChem: 92249 ChEBI: CHEBI:51771 Nom IUPAC: 7-amino-4-methyl-2H-chromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12
Paraffin oil, For IR spectroscopy, MilliporeSigma™ Supelco™
Numéro MDL: MFCD00131611
Ethyl coumarin-3-carboxylate, 98%
CAS: 1846-76-0 Formule moléculaire: C12H10O4 Poids moléculaire (g/mol): 218.208 Numéro MDL: MFCD00016964 Clé InChI: XKHPEMKBJGUYCM-UHFFFAOYSA-N Synonyme: ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester CID PubChem: 15800 Nom IUPAC: ethyl 2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2OC1=O
4-Phenylcinnamic acid, 98%
CAS: 13026-23-8 Formule moléculaire: C15H12O2 Poids moléculaire (g/mol): 224.26 Numéro MDL: MFCD00014010 Clé InChI: DMJDEZUEYXVYNO-FLIBITNWSA-N Synonyme: 4-phenylcinnamic acid,3-1,1'-biphenyl-4-yl acrylic acid,p-phenylcinnamic acid,e-3-1,1'-biphenyl-4-yl acrylic acid,2e-3-4-phenylphenyl prop-2-enoic acid,2e-3-biphenyl-4-ylacrylic acid,3-4-phenylphenyl prop-2-enoic acid,2e-3-1,1'-biphenyl-4-yl prop-2-enoic acid,trans-4-phenylcinnamic acid,biphenylylacrylicacid CID PubChem: 5842785 Nom IUPAC: (E)-3-(4-phenylphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C/C1=CC=C(C=C1)C1=CC=CC=C1
4-Acetoxycinnamic acid, predominantly trans, 98+%
CAS: 15486-19-8 Formule moléculaire: C11H10O4 Poids moléculaire (g/mol): 206.197 Numéro MDL: MFCD00016847 Clé InChI: BYHBHNKBISXCEP-QPJJXVBHSA-N Synonyme: 4-acetoxycinnamic acid,p-acetoxycinnamic acid,3-4-acetoxyphenyl acrylic acid,2-propenoic acid, 3-4-acetyloxy phenyl,trans-4-acetoxycinnamic acid,3-4-acetyloxy phenyl prop-2-enoic acid,4-acetoxycinnamic acid, predominantly trans,acetylated coumaric acid,2e-3-4-acetyloxy phenyl prop-2-enoic acid,3-4-acetoxyphenyl-2-propenoic acid CID PubChem: 5373941 ChEBI: CHEBI:86580 Nom IUPAC: (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid SMILES: CC(=O)OC1=CC=C(C=C1)C=CC(=O)O
trans-4-Nitrocinnamic acid, 98+%
CAS: 882-06-4 Formule moléculaire: C9H7NO4 Poids moléculaire (g/mol): 193.158 Numéro MDL: MFCD00007381 Clé InChI: XMMRNCHTDONGRJ-ZZXKWVIFSA-N Synonyme: 4-nitrocinnamic acid,3-4-nitrophenyl acrylic acid,p-nitrocinnamic acid,cinnamic acid, p-nitro,2-propenoic acid, 3-4-nitrophenyl,e-3-4-nitrophenyl acrylic acid,3-4-nitrophenyl propenoic acid,trans-4-nitrocinnamic acid,ccris 1665,2e-3-4-nitrophenyl prop-2-enoic acid CID PubChem: 737157 SMILES: C1=CC(=CC=C1C=CC(=O)O)[N+](=O)[O-]
trans-2-Nitrocinnamic acid, 98%
CAS: 1013-96-3 Formule moléculaire: C9H7NO4 Poids moléculaire (g/mol): 193.158 Numéro MDL: MFCD00007189 Clé InChI: BBQDLDVSEDAYAA-AATRIKPKSA-N Synonyme: 2-nitrocinnamic acid,o-nitrocinnamic acid,3-2-nitrophenyl acrylic acid,e-3-2-nitrophenyl acrylic acid,cinnamic acid, o-nitro,trans-2-nitrocinnamic acid,2e-3-2-nitrophenyl prop-2-enoic acid,2-propenoic acid, 3-2-nitrophenyl,3-2-nitrophenyl-acrylic acid,ccris 1668 CID PubChem: 735923 SMILES: C1=CC=C(C(=C1)C=CC(=O)O)[N+](=O)[O-]
3-Chlorocinnamic acid, predominantly trans, 98+%
CAS: 1866-38-2 Formule moléculaire: C9H7ClO2 Poids moléculaire (g/mol): 182.603 Numéro MDL: MFCD00004384 Clé InChI: FFKGOJWPSXRALK-SNAWJCMRSA-N Synonyme: 3-chlorocinnamic acid,3-3-chlorophenyl acrylic acid,m-chlorocinnamic acid,e-3-3-chlorophenyl acrylic acid,2e-3-3-chlorophenyl acrylic acid,trans-3-chlorocinnamic acid,e-3-chlorocinnamic acid,2e-3-3-chlorophenyl prop-2-enoic acid,2-propenoic acid, 3-3-chlorophenyl,rarechem bk hc t320 CID PubChem: 735250 Nom IUPAC: (E)-3-(3-chlorophenyl)prop-2-enoic acid SMILES: C1=CC(=CC(=C1)Cl)C=CC(=O)O
1,3-Diphenyl-1,3-propanedione, 98+%
CAS: 120-46-7 Formule moléculaire: C15H12O2 Poids moléculaire (g/mol): 224.259 Numéro MDL: MFCD00003085 Clé InChI: NZZIMKJIVMHWJC-UHFFFAOYSA-N Synonyme: dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc CID PubChem: 8433 ChEBI: CHEBI:75417 Nom IUPAC: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
trans-4-Methoxycinnamic acid, 98%
CAS: 943-89-5 Formule moléculaire: C10H10O3 Poids moléculaire (g/mol): 178.19 Numéro MDL: MFCD00004398 Clé InChI: AFDXODALSZRGIH-QPJJXVBHSA-N Synonyme: 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid CID PubChem: 699414 Nom IUPAC: (E)-3-(4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(\C=C\C(O)=O)C=C1
trans-4-Hydroxy-3-methoxycinnamic acid, 99%
CAS: 537-98-4 Formule moléculaire: C10H10O4 Poids moléculaire (g/mol): 194.19 Numéro MDL: MFCD00004400 Clé InChI: KSEBMYQBYZTDHS-HWKANZROSA-N Synonyme: ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl CID PubChem: 445858 ChEBI: CHEBI:17620 Nom IUPAC: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(\C=C\C(O)=O)=CC=C1O
alpha-Bromocinnamaldehyde, 98%
CAS: 5443-49-2 Formule moléculaire: C9H7BrO Poids moléculaire (g/mol): 211.058 Numéro MDL: MFCD00006965 Clé InChI: WQRWNOKNRHCLHV-TWGQIWQCSA-N Synonyme: alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo CID PubChem: 5369403 Nom IUPAC: (Z)-2-bromo-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=C(C=O)Br
4-Bromocinnamic acid, predominantly trans, 97+%
CAS: 1200-07-3 Formule moléculaire: C9H7BrO2 Poids moléculaire (g/mol): 227.06 Numéro MDL: MFCD00004394 Clé InChI: CPDDDTNAMBSPRN-ZZXKWVIFSA-N Synonyme: 4-bromocinnamic acid,p-bromocinnamic acid,3-4-bromophenyl acrylic acid,bromocinnamic acid,4,2e-3-4-bromophenyl prop-2-enoic acid,trans-4-bromocinnamic acid,e-3-4-bromophenyl acrylic acid,2-propenoic acid, 3-4-bromophenyl-, 2e,4-bromocinnamic acid, predominantly trans,rarechem bk hd c006 CID PubChem: 737158 Nom IUPAC: (E)-3-(4-bromophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=C(Br)C=C1
3-(3,4-Dihydroxyphenyl)propionic acid, 98+%
CAS: 1078-61-1 Formule moléculaire: C9H10O4 Poids moléculaire (g/mol): 182.175 Numéro MDL: MFCD00002776 Clé InChI: DZAUWHJDUNRCTF-UHFFFAOYSA-N Synonyme: dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid CID PubChem: 348154 ChEBI: CHEBI:48400 Nom IUPAC: 3-(3,4-dihydroxyphenyl)propanoic acid SMILES: C1=CC(=C(C=C1CCC(=O)O)O)O
trans-2-Hydroxycinnamic acid, 98+%
CAS: 614-60-8 Formule moléculaire: C9H8O3 Poids moléculaire (g/mol): 164.16 Numéro MDL: MFCD00004379 Clé InChI: PMOWTIHVNWZYFI-AATRIKPKSA-N Synonyme: 2-hydroxycinnamic acid,o-coumaric acid,trans-2-hydroxycinnamic acid,2-coumaric acid,trans-o-hydroxycinnamic acid,trans-o-coumaric acid,2-coumarate,e-o-hydroxycinnamic acid,2-hydroxycinnamate,o-hydroxy-trans-cinnamic acid CID PubChem: 637540 ChEBI: CHEBI:18125 Nom IUPAC: (E)-3-(2-hydroxyphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1O