3,4-Dimethoxycinnamic acid methyl ester
Basic information
- CAS
5396-64-5- Standard SMILES
COC(=O)/C=C/c1ccc(OC)c(OC)c1- InChIKey
JXRYDOZRPYFBKO-FNORWQNLSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Overview
Methyl-3,4-dimethoxycinnamate is an alkyl cinnamate obtained by the formal condensation of carboxy group of 3,4-dimethoxycinnamic acid with methanol. It is an alkyl cinnamate and a dimethoxybenzene. It is functionally related to a 3,4-dimethoxycinnamic acid.
Names & identifiers
- Preferred name
- 3,4-Dimethoxycinnamic acid methyl ester
- IUPAC
- methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
- English name
- Methyl (E)-3-(3,4-dimethoxyphenyl)-2-propenoate
- Molecular formula
- C12H14O4
- Molecular weight
- 222.24
Names & synonyms
30461-77-9RefChem:10657823,4-Dimethoxycinnamic acid methyl esterMethyl 3-(3,4-dimethoxyphenyl)acrylatemethyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoateMethyl (E)-3-(3,4-Dimethoxyphenyl)acrylate3,4-O-Dimethylcaffeic acid methyl estermethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl esterMethyl 3-(3',4'-Dimethoxyphenyl)propenoateCinnamic acid, 3,4-dimethoxy-, methyl esterMFCD00458425
Show more names
Methyl 4-methoxyferulateMethyl 3,4-DiMethoxycinnaMate3-O,4-O-Dimethylcaffeic acid methyl esterMethyl 3-(3’,4’-Dimethoxyphenyl)propenoate3,4-Dimethoxybenzeneacrylic acid methyl ester
Methyl (E)-3,4-Dimethoxycinnamatemethyl (E)-3-(3,4-dimethoxyphenyl)-2-propenoatemethyl-3,4-dimethoxycinnamatemethyl 3-(3,4-dimethoxyphenyl)-2-propenoateNSC 4331Methyl 3,4-dimethyoxycinnamate(E)-3,4-Dimethoxycinnamic Acid Methyl Ester; (E)-Methyl 3-(3,4-Dimethoxyphenyl)acrylate; 3-(3,4-Dimethoxyphenyl)-methyl Ester-2-propenoic Acid; (E)- 3,4-Dimethoxy-methyl Ester Cinnamic Acid; Methyl trans-3,4-Dimethoxycinnamate;AI3-23964
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 63 · 63-65C
- Boiling point
- 339.3 · 339.3±27.0 °C(Predicted)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Acetone, Chloroform, Dichloromethane, Ethyl Acetate
- form
- Solid
- color
- Pale Yellow
- LogP
- 2 · 2.000 (est)
Chemistry & industry
Applications
UsesMethyl 3-(3’,4’-Dimethoxyphenyl)propenoate (cas# 5396-64-5) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: An alkyl cinnamate obtained by the formal condensation of carboxy group of 3,4-dimethoxycinnamic acid with methanol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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