(E)-4-carbomethoxycinnamic acid

Base Information

• Chemical Name: (E)-4-carbomethoxycinnamic acid
• CAS No.: 19473-96-2
• Molecular Formula: C11H10O4
• Molecular Weight: 206.198
• Hs Code.: 2918990090
• European Community (EC) Number: 243-095-6,825-357-7
• Nikkaji Number: J854.752A,J242.826A
• Wikidata: Q76139580
• ChEMBL ID: CHEMBL1721126
• Mol file: 19473-96-2.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:

• Vapor Pressure: 2.84E-06mmHg at 25°C
• Boiling Point: 374.5°Cat760mmHg
• Flash Point: 148.5°C
• PSA: 63.60000
• Density: 1.265g/cm³
• LogP: 1.57100
• Solubility.: Ethyl Acetate, Methanol
• 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

4-(2-Carboxyethenyl)benzoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

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
• Uses: An intermediate in the preparation of heteropolycyclic quinolones.

Technology Process of (E)-4-carbomethoxycinnamic acid

There total 6 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: 100.0%

malonic acid (141-82-2) + methyl 4-formylbenzoate (1571-08-0) → 4-(2-carboxyvinyl)benzoic acid methyl ester (19473-96-2)

Guidance literature:

With piperidine; pyridine; at 120 ℃; for 12h;

Reference yield: 95.0%

methyl 4-(2-t-butoxycarbonylvinyl)benzoate (188979-84-2) → 4-(2-carboxyvinyl)benzoic acid methyl ester (19473-96-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; water; at 20 ℃; for 27h;

Reference yield: 91.0%

4-(3-oxo-1-propen-1-yl)benzoic acid methyl ester (73166-52-6) → 4-(2-carboxyvinyl)benzoic acid methyl ester (19473-96-2)

Guidance literature:

With carbon dioxide; potassium carbonate; 1,3-bis(mesityl)imidazolium chloride; In dimethyl sulfoxide; at 20 ℃; for 72h; under 760.051 Torr;

DOI:10.1021/ja909038t

upstream raw materials:

malonic acid

methyl 4-formylbenzoate

methyl 4-(2-t-butoxycarbonylvinyl)benzoate

piperidine

Downstream raw materials:

9-anilidobenzothieno<2,3-c>quinolin-6(5H)-one

1-chlorobenzothiophene-2,5-dicarboxdianilide

1-chloro-N,N'-dimethylbenzothiophene-2,5-dicarboxdianilide

methyl (E)-4-(prop-1-en-1-yl)benzoate

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