(E)-4-carbomethoxycinnamic acid

Base Information

• Chemical Name: (E)-4-carbomethoxycinnamic acid
• CAS No.: 117390-07-5
• Molecular Formula: C11H10O4
• Molecular Weight: 206.198
• European Community (EC) Number: 243-095-6,825-357-7
• Nikkaji Number: J854.752A,J242.826A
• Wikidata: Q76139580
• ChEMBL ID: CHEMBL1721126
• Mol file: 117390-07-5.mol

Synonyms:19473-96-2;117390-07-5;(E)-4-carbomethoxycinnamic acid;4-(2-Carboxy-vinyl)-benzoic acid methyl ester;(E)-3-(4-(methoxycarbonyl)phenyl)acrylic acid;3-(4-(methoxycarbonyl)phenyl)acrylic acid;(2E)-3-[4-(methoxycarbonyl)phenyl]prop-2-enoic acid;(E)-3-(4-methoxycarbonylphenyl)prop-2-enoic acid;4-(2-Carboxyvinyl)benzoic acid methyl ester;MFCD03002800;benzoic acid, 4-[(1E)-2-carboxyethenyl]-, 1-methyl ester;(E)-3-[4-(methoxycarbonyl)phenyl]acrylic acid;3-[4-(methoxycarbonyl)phenyl]prop-2-enoic acid;4-methoxycarbonyl cinnamic acid;(E)-3-(4-Methoxycarbonylphenyl)-2-propenoic acid;MLS001003066;SCHEMBL1614488;CHEMBL1721126;4-(Methoxycarbonyl)cinnamic acid;HMS2764K18;1-methyl4-(2-carboxyvinyl)benzoate;4-Methoxycarbonylbenzenepropenoic acid;AKOS000263641;NCGC00246154-01;SMR000372712;CS-0347231;(E)-3-(4-(methoxycarbonyl)phenyl)acrylicacid;3-(4-methoxycarbonylphenyl)prop-2-enoic acid;4-(2-Carboxy-vinyl)benzoic acid methyl ester;EN300-05364;4-(2-Carboxyethenyl)benzoic Acid Methyl Ester;EN300-832877;2T-0643;4-((E)-2-carboxyvinyl)-benzoic acid methyl ester;SR-01000040629;J-501902;SR-01000040629-1;F3284-8037;Z2573655225

Chemical Property of (E)-4-carbomethoxycinnamic acid

Chemical Property:

• Melting Point: 246-247 °C(Solv: water (7732-18-5); methanol (67-56-1))
• Boiling Point: 374.5±25.0 °C(Predicted)
• PKA: 4.25±0.10(Predicted)
• PSA: 63.60000
• Density: 1.265±0.06 g/cm3(Predicted)
• LogP: 1.57100
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 206.05790880
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)C=CC(=O)O
• Isomeric SMILES: COC(=O)C1=CC=C(C=C1)/C=C/C(=O)O

Technology Process of (E)-4-carbomethoxycinnamic acid

There total 10 articles about (E)-4-carbomethoxycinnamic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

→ (E)-4-(methoxycarbonyl)cinnamic acid (117390-07-5)

Guidance literature:

With piperidine; pyridine; for 2h; Reflux;

Reference yield: 96.9%

malonic acid (141-82-2) + methyl 4-formylbenzoate (1571-08-0) → (E)-4-(methoxycarbonyl)cinnamic acid (117390-07-5)

Guidance literature:

With piperidine; pyridine; at 100 ℃; for 2h;

Reference yield: 93.0%

methyl 4-iodobenzoate (619-44-3) + acrylic acid (79-10-7) → (E)-4-(methoxycarbonyl)cinnamic acid (117390-07-5)

Guidance literature:

With tributyl-amine; poly-γ-methylselenopropylsiloxane palladium(0); In para-xylene; at 100 ℃; for 6h;

upstream raw materials:

malonic acid

methyl 4-formylbenzoate

methyl 4-iodobenzoate

acrylic acid

Downstream raw materials:

4-[(1E)-3-hydroxy-1-propen-1-yl]benzoic acid methyl ester

3-(4-methoxycarbonylphenyl)propanoic acid

8-[2,6-Dichloro-3-[N-[4-(methoxycarbonyl)cinnamoylglycyl]-N-methylamino]benzyloxy]-2-methylquinoline

methyl (E)‐4‐(3‐chloro‐3‐oxoprop‐1‐en‐1‐yl)benzoate