3-(3-Methoxycarbonylphenyl)benzoic acid

Base Information

Chemical Name:3-(3-Methoxycarbonylphenyl)benzoic acid
CAS No.:893736-81-7
Molecular Formula:C15H12 O4
Molecular Weight:256.258
Hs Code.:2918990090
European Community (EC) Number:810-350-3
ChEMBL ID:CHEMBL4163232
DSSTox Substance ID:DTXSID50602497
Wikidata:Q82499600
Mol file:893736-81-7.mol

Synonyms:893736-81-7;3-(3-Methoxycarbonylphenyl)benzoic acid;3'-(Methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylic acid;3'-(Methoxycarbonyl)[1,1'-biphenyl]-3-carboxylic acid;SCHEMBL3032014;3'-(Methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylicacid;CHEMBL4163232;DTXSID50602497;CJWQBLCGSMIQJV-UHFFFAOYSA-N;MFCD06802576;AKOS004119031;FS-6461;CS-0208148;3'-(methoxycarbonyl)-3-biphenylcarboxylic acid;3'-(methoxycarbonyl)biphenyl-3-carboxylic acid

Suppliers and Price of 3-(3-Methoxycarbonylphenyl)benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-(3-Methoxycarbonylphenyl)benzoicacid
100mg
$ 115.00

Crysdot
3'-(Methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylicacid 95+%
5g
$ 847.00

American Custom Chemicals Corporation
3'-(METHOXYCARBONYL)-[1,1'-BIPHENYL]-3-CARBOXYLIC ACID 95.00%
5MG
$ 503.25

AK Scientific
3'-(Methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylicacid
1g
$ 451.00

Total 5 raw suppliers

Chemical Property of 3-(3-Methoxycarbonylphenyl)benzoic acid

Chemical Property:

PSA：80.39000
LogP:2.85100
Storage Temp.:2-8°C
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:256.07355886
Heavy Atom Count:19
Complexity:339

Purity/Quality:

99% ^*data from raw suppliers

3-(3-Methoxycarbonylphenyl)benzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O

Technology Process of 3-(3-Methoxycarbonylphenyl)benzoic acid

There total 3 articles about 3-(3-Methoxycarbonylphenyl)benzoic 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: 83.0%

: 99769-19-4
[3-(methoxycarbonyl)phenyl]boronic acid

: 618-51-9
3-Iodobenzoic acid

: 893736-81-7
3'-(methoxycarbonyl)biphenyl-3-carboxylic acid

Guidance literature:: [3-(methoxycarbonyl)phenyl]boronic acid; 3-Iodobenzoic acid; With caesium carbonate; palladium diacetate; In water; N,N-dimethyl-formamide; at 40 ℃; for 4h;

With hydrogenchloride; water; In 1,2-dimethoxyethane; pH=3;

Reference yield: 54.0%

: 585-76-2
m-bromobenzoic acid

: 99769-19-4
[3-(methoxycarbonyl)phenyl]boronic acid

: 893736-81-7
3'-(methoxycarbonyl)biphenyl-3-carboxylic acid

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; In 1,4-dioxane; water; at 95 ℃; Inert atmosphere;
DOI:10.1016/j.ejmech.2017.12.085

Reference yield:

: 618-89-3
methyl 3-bromobenzoate

: 25487-66-5
3-Carboxyphenylboronic acid

: 893736-81-7
3'-(methoxycarbonyl)biphenyl-3-carboxylic acid

Guidance literature:: With potassium carbonate; Ps-PPh₃-Pd resin; In tetrahydrofuran; ethanol; water; at 80 ℃; for 24h; Product distribution / selectivity;