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Cinnamic acids and derivatives

Organic compounds that contain a benzene ring bonded to an alkene bonded to a carboxylic acid in the following structure: C6H5CH=CHCOOH. Includes compounds that are derived from cinnamic acids.

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1

Tyrphostin B46, 98+%, Thermo Scientific Chemicals

CAS: 133550-34-2 Molecular Formula: C19H18N2O3 Molecular Weight (g/mol): 322.364 MDL Number: MFCD00209865 InChI Key: GSQOBTOAOGXIFL-WJDWOHSUSA-N Synonym: tyrphostin b46,z-2-cyano-3-3,4-dihydroxyphenyl-n-3-phenylpropyl prop-2-enamide,n-3 inverted exclamation marka-phenylpropyl-3,4-dihydroxybenzylidenecyanoacetamide PubChem CID: 5353390 IUPAC Name: (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide SMILES: C1=CC=C(C=C1)CCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

PubChem CID 5353390
CAS 133550-34-2
Molecular Weight (g/mol) 322.364
MDL Number MFCD00209865
SMILES C1=CC=C(C=C1)CCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
Synonym tyrphostin b46,z-2-cyano-3-3,4-dihydroxyphenyl-n-3-phenylpropyl prop-2-enamide,n-3 inverted exclamation marka-phenylpropyl-3,4-dihydroxybenzylidenecyanoacetamide
IUPAC Name (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
InChI Key GSQOBTOAOGXIFL-WJDWOHSUSA-N
Molecular Formula C19H18N2O3
2

3,4-Dichlorocinnamic acid, 97%, Thermo Scientific™

CAS: 1202-39-7 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.05 InChI Key: RRLUFPHCTSFKNR-DUXPYHPUSA-N Synonym: 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid PubChem CID: 688027 IUPAC Name: (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl

PubChem CID 688027
CAS 1202-39-7
Molecular Weight (g/mol) 217.05
SMILES C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl
Synonym 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid
IUPAC Name (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid
InChI Key RRLUFPHCTSFKNR-DUXPYHPUSA-N
Molecular Formula C9H6Cl2O2
3

2-Fluorocinnamic acid, 98%, Thermo Scientific™

CAS: 451-69-4 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.15 MDL Number: MFCD00004370 InChI Key: IOUDZAFBPDDAMK-AATRIKPKSA-N Synonym: 2-fluorocinnamic acid,o-fluorocinnamic acid,cinnamic acid, o-fluoro,2-propenoic acid, 3-2-fluorophenyl,2e-3-2-fluorophenyl prop-2-enoic acid,3-2-fluorophenyl acrylic acid,3-2-fluoro-phenyl-acrylic acid,2e-3-2-fluorophenyl acrylic acid,3-2-fluorophenyl-2-propenoic acid,trans-2-fluorocinnamic acid PubChem CID: 735833 IUPAC Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1F

PubChem CID 735833
CAS 451-69-4
Molecular Weight (g/mol) 166.15
MDL Number MFCD00004370
SMILES OC(=O)\C=C\C1=CC=CC=C1F
Synonym 2-fluorocinnamic acid,o-fluorocinnamic acid,cinnamic acid, o-fluoro,2-propenoic acid, 3-2-fluorophenyl,2e-3-2-fluorophenyl prop-2-enoic acid,3-2-fluorophenyl acrylic acid,3-2-fluoro-phenyl-acrylic acid,2e-3-2-fluorophenyl acrylic acid,3-2-fluorophenyl-2-propenoic acid,trans-2-fluorocinnamic acid
IUPAC Name (E)-3-(2-fluorophenyl)prop-2-enoic acid
InChI Key IOUDZAFBPDDAMK-AATRIKPKSA-N
Molecular Formula C9H7FO2
4

1,4-Benzenediacrylic acid, 98%, Thermo Scientific Chemicals

CAS: 16323-43-6 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00002698 InChI Key: AAFXQFIGKBLKMC-KQQUZDAGSA-N Synonym: 1,4-benzenediacrylic acid,1,4-phenylenediacrylic acid,p-phenylenediacrylic acid,p-benzenediacrylic acid,unii-0f7e4o8q8y,3,3'-1,4-phenylene bis-2-propenoic acid,3,3'-p-phenylene diacrylic acid,2e-3-4-1e-2-carboxyeth-1-en-1-yl phenyl prop-2-enoic acid,2'e-3,3'-benzene-1,4-diylbisprop-2-enoic acid,3,3'-benzene-1,4-diylbisprop-2-enoic acid PubChem CID: 759280 IUPAC Name: (E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O

PubChem CID 759280
CAS 16323-43-6
Molecular Weight (g/mol) 218.208
MDL Number MFCD00002698
SMILES C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O
Synonym 1,4-benzenediacrylic acid,1,4-phenylenediacrylic acid,p-phenylenediacrylic acid,p-benzenediacrylic acid,unii-0f7e4o8q8y,3,3'-1,4-phenylene bis-2-propenoic acid,3,3'-p-phenylene diacrylic acid,2e-3-4-1e-2-carboxyeth-1-en-1-yl phenyl prop-2-enoic acid,2'e-3,3'-benzene-1,4-diylbisprop-2-enoic acid,3,3'-benzene-1,4-diylbisprop-2-enoic acid
IUPAC Name (E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
InChI Key AAFXQFIGKBLKMC-KQQUZDAGSA-N
Molecular Formula C12H10O4
5

2,5-Dimethoxycinnamic acid, predominantly trans, 99%, Thermo Scientific™

CAS: 10538-51-9 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00004378 InChI Key: JPQWWJZORKTMIZ-ZZXKWVIFSA-N Synonym: 2,5-dimethoxycinnamic acid,3-2,5-dimethoxyphenyl acrylic acid,e-3-2,5-dimethoxyphenyl acrylic acid,2e-3-2,5-dimethoxyphenyl acrylic acid,3-2,5-dimethoxyphenyl-2-propenoic acid,2e-3-2,5-dimethoxyphenyl prop-2-enoic acid,3-2,5-dimethoxyphenyl prop-2-enoic acid,rarechem bk hc t324,timtec-bb sbb000471,trans-2,5-dimethoxycinnamic acid PubChem CID: 697594 IUPAC Name: (E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=C(C=C1)OC)C=CC(=O)O

PubChem CID 697594
CAS 10538-51-9
Molecular Weight (g/mol) 208.213
MDL Number MFCD00004378
SMILES COC1=CC(=C(C=C1)OC)C=CC(=O)O
Synonym 2,5-dimethoxycinnamic acid,3-2,5-dimethoxyphenyl acrylic acid,e-3-2,5-dimethoxyphenyl acrylic acid,2e-3-2,5-dimethoxyphenyl acrylic acid,3-2,5-dimethoxyphenyl-2-propenoic acid,2e-3-2,5-dimethoxyphenyl prop-2-enoic acid,3-2,5-dimethoxyphenyl prop-2-enoic acid,rarechem bk hc t324,timtec-bb sbb000471,trans-2,5-dimethoxycinnamic acid
IUPAC Name (E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
InChI Key JPQWWJZORKTMIZ-ZZXKWVIFSA-N
Molecular Formula C11H12O4
6

3-[4-(Trifluoromethoxy)phenyl]acrylic acid, 97%, Thermo Scientific™

CAS: 783-13-1 Molecular Formula: C10H7F3O3 Molecular Weight (g/mol): 232.158 MDL Number: MFCD00066338 InChI Key: RNYVTJANWYBGPW-ZZXKWVIFSA-N Synonym: 3-4-trifluoromethoxy phenyl acrylic acid,4-trifluoromethoxy cinnamic acid,e-3-4-trifluoromethoxy phenyl acrylic acid,e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,2e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,3-4-trifluoromethoxyphenyl acrylic acid,trifluoromethoxyphenylacrylicacid,trans-4-trifluoromethoxy cinnamic acid PubChem CID: 735857 IUPAC Name: (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)OC(F)(F)F

PubChem CID 735857
CAS 783-13-1
Molecular Weight (g/mol) 232.158
MDL Number MFCD00066338
SMILES C1=CC(=CC=C1C=CC(=O)O)OC(F)(F)F
Synonym 3-4-trifluoromethoxy phenyl acrylic acid,4-trifluoromethoxy cinnamic acid,e-3-4-trifluoromethoxy phenyl acrylic acid,e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,2e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,3-4-trifluoromethoxyphenyl acrylic acid,trifluoromethoxyphenylacrylicacid,trans-4-trifluoromethoxy cinnamic acid
IUPAC Name (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
InChI Key RNYVTJANWYBGPW-ZZXKWVIFSA-N
Molecular Formula C10H7F3O3
10

Thermo Scientific Chemicals Curcumin (mixture of curcumin, demethoxycurcumin, and bisdemethoxycurcumin), 96%

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

EDGE
PubChem CID 969516
CAS 458-37-7
Molecular Weight (g/mol) 368.39
ChEBI CHEBI:3962
MDL Number MFCD00008365
SMILES COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
Synonym curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i
InChI Key ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Molecular Formula C21H20O6
11

Tyrphostin B42, 99+%, Thermo Scientific™

CAS: 134036-52-5 Molecular Formula: C17H14N2O3 Molecular Weight (g/mol): 294.31 MDL Number: MFCD00236452 InChI Key: TUCIOBMMDDOEMM-ZSOIEALJSA-N Synonym: 2-cyano-3-3,4-dihydroxyphenyl-n-phenylmethyl-2-propenamide,2-cyano-3-3,4-dihydroxyphenyl-n-benzyl-2-propenamide,z-n-benzyl-2-cyano-3-3,4-dihydroxyphenyl prop-2-enamide,2z-n-benzyl-2-cyano-3-3,4-dihydroxyphenyl prop-2-enamide PubChem CID: 5353441 IUPAC Name: (Z)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide SMILES: C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

PubChem CID 5353441
CAS 134036-52-5
Molecular Weight (g/mol) 294.31
MDL Number MFCD00236452
SMILES C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
Synonym 2-cyano-3-3,4-dihydroxyphenyl-n-phenylmethyl-2-propenamide,2-cyano-3-3,4-dihydroxyphenyl-n-benzyl-2-propenamide,z-n-benzyl-2-cyano-3-3,4-dihydroxyphenyl prop-2-enamide,2z-n-benzyl-2-cyano-3-3,4-dihydroxyphenyl prop-2-enamide
IUPAC Name (Z)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
InChI Key TUCIOBMMDDOEMM-ZSOIEALJSA-N
Molecular Formula C17H14N2O3
12

2,3-Difluorocinnamic acid, 98%, Thermo Scientific™

CAS: 207981-48-4 Molecular Formula: C9H6F2O2 Molecular Weight (g/mol): 184.142 MDL Number: MFCD00061291 InChI Key: NVQHKPLMLCHFSU-SNAWJCMRSA-N Synonym: 2,3-difluorocinnamic acid,trans-2,3-difluorocinnamic acid,e-3-2,3-difluorophenyl acrylic acid,3-2,3-difluorophenyl acrylic acid,2e-3-2,3-difluorophenyl prop-2-enoic acid,e-3-2,3-difluorophenyl prop-2-enoic acid,3-2,3-difluoro-phenyl-acrylic acid,2e-3-2,3-difluorophenyl-2-propenoic acid,pubchem4329,rarechem bk hw 0120 PubChem CID: 5702854 IUPAC Name: (E)-3-(2,3-difluorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C(=C1)F)F)C=CC(=O)O

PubChem CID 5702854
CAS 207981-48-4
Molecular Weight (g/mol) 184.142
MDL Number MFCD00061291
SMILES C1=CC(=C(C(=C1)F)F)C=CC(=O)O
Synonym 2,3-difluorocinnamic acid,trans-2,3-difluorocinnamic acid,e-3-2,3-difluorophenyl acrylic acid,3-2,3-difluorophenyl acrylic acid,2e-3-2,3-difluorophenyl prop-2-enoic acid,e-3-2,3-difluorophenyl prop-2-enoic acid,3-2,3-difluoro-phenyl-acrylic acid,2e-3-2,3-difluorophenyl-2-propenoic acid,pubchem4329,rarechem bk hw 0120
IUPAC Name (E)-3-(2,3-difluorophenyl)prop-2-enoic acid
InChI Key NVQHKPLMLCHFSU-SNAWJCMRSA-N
Molecular Formula C9H6F2O2
13

3,4-Difluorocinnamic acid, 97%, Thermo Scientific™

CAS: 112897-97-9 Molecular Formula: C9H6F2O2 Molecular Weight (g/mol): 184.142 MDL Number: MFCD00010320 InChI Key: HXBOHZQZTWAEHJ-DUXPYHPUSA-N Synonym: 3,4-difluorocinnamic acid,trans-3,4-difluorocinnamic acid,e-3-3,4-difluorophenyl acrylic acid,2e-3-3,4-difluorophenyl prop-2-enoic acid,e-3-3,4-difluorophenyl prop-2-enoic acid,3-3,4-difluorophenyl acrylic acid,2-propenoic acid, 3-3,4-difluorophenyl-, 2e,pubchem3107,2-propenoic acid, 3-3,4-difluorophenyl,3,4-difluoro cinnamic acid PubChem CID: 2733300 IUPAC Name: (E)-3-(3,4-difluorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)F)F

PubChem CID 2733300
CAS 112897-97-9
Molecular Weight (g/mol) 184.142
MDL Number MFCD00010320
SMILES C1=CC(=C(C=C1C=CC(=O)O)F)F
Synonym 3,4-difluorocinnamic acid,trans-3,4-difluorocinnamic acid,e-3-3,4-difluorophenyl acrylic acid,2e-3-3,4-difluorophenyl prop-2-enoic acid,e-3-3,4-difluorophenyl prop-2-enoic acid,3-3,4-difluorophenyl acrylic acid,2-propenoic acid, 3-3,4-difluorophenyl-, 2e,pubchem3107,2-propenoic acid, 3-3,4-difluorophenyl,3,4-difluoro cinnamic acid
IUPAC Name (E)-3-(3,4-difluorophenyl)prop-2-enoic acid
InChI Key HXBOHZQZTWAEHJ-DUXPYHPUSA-N
Molecular Formula C9H6F2O2
14

2,5-Difluorocinnamic acid, 98%, Thermo Scientific™

CAS: 112898-33-6 Molecular Formula: C9H6F2O2 Molecular Weight (g/mol): 184.142 MDL Number: MFCD00010318 InChI Key: XAWHCSKPALFWBI-DAFODLJHSA-N Synonym: trans-2,5-difluorocinnamic acid,2,5-difluorocinnamic acid,e-3-2,5-difluorophenyl acrylic acid,3-2,5-difluoro-phenyl-acrylic acid,2e-3-2,5-difluorophenyl prop-2-enoic acid,3-2,5-difluorophenyl prop-2-enoic acid,3-2,5-difluorophenyl acrylic acid,2e-3-2,5-difluorophenyl acrylic acid,e-3-2,5-difluorophenyl prop-2-enoic acid,trans-3-2,5-difluorophenyl prop-2-enoic acid PubChem CID: 2733299 IUPAC Name: (E)-3-(2,5-difluorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1F)C=CC(=O)O)F

PubChem CID 2733299
CAS 112898-33-6
Molecular Weight (g/mol) 184.142
MDL Number MFCD00010318
SMILES C1=CC(=C(C=C1F)C=CC(=O)O)F
Synonym trans-2,5-difluorocinnamic acid,2,5-difluorocinnamic acid,e-3-2,5-difluorophenyl acrylic acid,3-2,5-difluoro-phenyl-acrylic acid,2e-3-2,5-difluorophenyl prop-2-enoic acid,3-2,5-difluorophenyl prop-2-enoic acid,3-2,5-difluorophenyl acrylic acid,2e-3-2,5-difluorophenyl acrylic acid,e-3-2,5-difluorophenyl prop-2-enoic acid,trans-3-2,5-difluorophenyl prop-2-enoic acid
IUPAC Name (E)-3-(2,5-difluorophenyl)prop-2-enoic acid
InChI Key XAWHCSKPALFWBI-DAFODLJHSA-N
Molecular Formula C9H6F2O2
15

3,4,5-Trifluorocinnamic acid, 97+%, Thermo Scientific™

CAS: 152152-19-7 Molecular Formula: C9H4F3O2 Molecular Weight (g/mol): 201.13 MDL Number: MFCD00083529 InChI Key: PHIWFMZBVZFEQJ-OWOJBTEDSA-M Synonym: 3,4,5-trifluorocinnamic acid,2e-3-3,4,5-trifluorophenyl prop-2-enoic acid,3-3,4,5-trifluoro-phenyl-acrylic acid,3,4,5-trifluorocinnamicacid,pubchem4351,rarechem bk hw 0056,trans-3,4,5-trifluorocinnamic acid,e-3-3,4,5-trifluorophenyl acrylic acid,e-3-3,4,5-trifluorophenyl prop-2-enoic acid,2-propenoic acid, 3-3,4,5-trifluorophenyl-, 2e PubChem CID: 5708779 IUPAC Name: (E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid SMILES: [O-]C(=O)\C=C\C1=CC(F)=C(F)C(F)=C1

PubChem CID 5708779
CAS 152152-19-7
Molecular Weight (g/mol) 201.13
MDL Number MFCD00083529
SMILES [O-]C(=O)\C=C\C1=CC(F)=C(F)C(F)=C1
Synonym 3,4,5-trifluorocinnamic acid,2e-3-3,4,5-trifluorophenyl prop-2-enoic acid,3-3,4,5-trifluoro-phenyl-acrylic acid,3,4,5-trifluorocinnamicacid,pubchem4351,rarechem bk hw 0056,trans-3,4,5-trifluorocinnamic acid,e-3-3,4,5-trifluorophenyl acrylic acid,e-3-3,4,5-trifluorophenyl prop-2-enoic acid,2-propenoic acid, 3-3,4,5-trifluorophenyl-, 2e
IUPAC Name (E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid
InChI Key PHIWFMZBVZFEQJ-OWOJBTEDSA-M
Molecular Formula C9H4F3O2