2-[3-(4-Bromophenyl)-2-oxo-3h-benzo[b]furan-5-yl]propanoic acid

Base Information

Chemical Name:2-[3-(4-Bromophenyl)-2-oxo-3h-benzo[b]furan-5-yl]propanoic acid
CAS No.:77143-72-7
Molecular Formula:C₁₇H₁₃BrO₄
Molecular Weight:361.192
Hs Code.:2932209090
DSSTox Substance ID:DTXSID90998402
Mol file:77143-72-7.mol

Synonyms:77143-72-7;BRN 4519402;2-[3-(4-bromophenyl)-2-oxo-3h-benzo[b]furan-5-yl]propanoic acid;2,3-Dihydro-3-(4-bromophenyl)-alpha-methyl-2-oxo-5-benzofuranacetic acid;5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-alpha-methyl-2-oxo-;DTXSID90998402;LS-34858;2-[3-(4-Bromophenyl)-2-oxo-2,3-dihydro-1-benzofuran-5-yl]propanoic acid;2-[3-(4-BROMOPHENYL)-2-OXO-3H-BENZOFURAN-5-YL]PROPANOIC ACID

Suppliers and Price of 2-[3-(4-Bromophenyl)-2-oxo-3h-benzo[b]furan-5-yl]propanoic 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

Total 4 raw suppliers

Chemical Property of 2-[3-(4-Bromophenyl)-2-oxo-3h-benzo[b]furan-5-yl]propanoic acid

Chemical Property:

Vapor Pressure:1.64E-09mmHg at 25°C
Melting Point:143 °C
Boiling Point:466.7°C at 760 mmHg
PKA:4.22±0.10(Predicted)
Flash Point:236.1°C
PSA：63.60000
Density:1.562g/cm³
LogP:3.68810
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:359.99972
Heavy Atom Count:22
Complexity:444

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC2=C(C=C1)OC(=O)C2C3=CC=C(C=C3)Br)C(=O)O

Technology Process of 2-[3-(4-Bromophenyl)-2-oxo-3h-benzo[b]furan-5-yl]propanoic acid

There total 2 articles about 2-[3-(4-Bromophenyl)-2-oxo-3h-benzo[b]furan-5-yl]propanoic 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: 60.0%

: 77143-66-9
2-[3-(4-Bromo-phenyl)-2-oxo-2,3-dihydro-benzofuran-5-yl]-propionic acid methyl ester

: 77143-72-7
2-[3-(4-Bromo-phenyl)-2-oxo-2,3-dihydro-benzofuran-5-yl]-propionic acid

Guidance literature:: With sulfuric acid; Heating;

Reference yield:

: 65784-33-0
methyl 2-(4-hydroxyphenyl)propanoate

: 77143-72-7
2-[3-(4-Bromo-phenyl)-2-oxo-2,3-dihydro-benzofuran-5-yl]-propionic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 1) Na / 1) toluene, reflux, 8 h, 2) reflux, 8 h

2: 51 percent / conc. H₂SO₄ / 24 h / Ambient temperature

3: 60 percent / 50percent aq. H₂SO₄ / Heating

With sulfuric acid; sodium;