3-(4-Bromo-3-fluorophenyl)propanoic acid

Base Information

Chemical Name:3-(4-Bromo-3-fluorophenyl)propanoic acid
CAS No.:127425-80-3
Molecular Formula:C₉H₈BrFO₂
Molecular Weight:247.064
Hs Code.:
European Community (EC) Number:851-477-4

Synonyms:3-(4-bromo-3-fluorophenyl)propanoic acid;127425-80-3;3-(4-Bromo-3-fluoro-phenyl)-propionic acid;Benzenepropanoic acid, 4-bromo-3-fluoro-;SCHEMBL9247568;CFA42580;MFCD18391366;3-(4-bromo-3-fluorophenyl)propanoicacid;DS-19458;3-(4-Bromo-3-fluorophenyl)propionic acid;CS-0059887;F52878;EN300-1910984

Suppliers and Price of 3-(4-Bromo-3-fluorophenyl)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 2 raw suppliers

Chemical Property of 3-(4-Bromo-3-fluorophenyl)propanoic acid

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:245.96917
Heavy Atom Count:13
Complexity:187

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=C(C=C1CCC(=O)O)F)Br

Technology Process of 3-(4-Bromo-3-fluorophenyl)propanoic acid

There total 3 articles about 3-(4-Bromo-3-fluorophenyl)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: 73.0%

: 2-(4-bromo-3-fluorophenethyl)-4,4-dimethyl-4,5-dihydrooxazole

: 127425-80-3
3-(4-bromo-3-fluorophenyl)propanoic acid

Guidance literature:: With hydrogenchloride; In water; for 1.5h; Reflux;
DOI:10.1021/acs.jmedchem.7b00210

Reference yield:

: 127425-73-4
1-bromo-4-(bromomethyl)-2-fluorobenzene

: 105-53-3
diethyl malonate

: 127425-80-3
3-(4-bromo-3-fluorophenyl)propanoic acid

Guidance literature:: With sodium;

Reference yield:

: 127425-73-4
1-bromo-4-(bromomethyl)-2-fluorobenzene

: 127425-80-3
3-(4-bromo-3-fluorophenyl)propanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 0.92 h / -78 °C / Inert atmosphere

1.2: 16.5 h / -78 - 20 °C / Inert atmosphere

2.1: hydrogenchloride / water / 1.5 h / Reflux

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; hexane; water;
DOI:10.1021/acs.jmedchem.7b00210