3-(5-Bromo-2-fluorophenyl)propanoic acid

Base Information

• Chemical Name: 3-(5-Bromo-2-fluorophenyl)propanoic acid
• CAS No.: 881189-58-8
• Molecular Formula: C₉H₈BrFO₂
• Molecular Weight: 247.064
• European Community (EC) Number: 847-156-3
• Mol file: 881189-58-8.mol

Synonyms:3-(5-bromo-2-fluorophenyl)propanoic acid;881189-58-8;3-(5-Bromo-2-fluoro-phenyl)-propionic acid;3-(5-Bromo-2-fluorophenyl)propionic acid;Benzenepropanoic acid, 5-bromo-2-fluoro-;SCHEMBL14430303;MFCD11036289;AKOS006032319;3-(5-bromo-2-fluorophenyl)propanoicacid;DS-19457;3-(5'-Bromo-2'-fluorophenyl)propionic acid;CS-0059864;EN300-119625;F52877;3-(5-Bromo-2-fluorophenyl)propionic acid, AldrichCPR;Z426022294

Chemical Property of 3-(5-Bromo-2-fluorophenyl)propanoic acid

Chemical Property:

• Boiling Point: 330.8±27.0 °C(Predicted)
• PKA: 4.57±0.10(Predicted)
• Density: 1.606±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• 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

3-(5-Bromo-2-fluorophenyl)propionic acid Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)CCC(=O)O)F

Technology Process of 3-(5-Bromo-2-fluorophenyl)propanoic acid

There total 4 articles about 3-(5-Bromo-2-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: 90.0%

methyl 3-(5-bromo-2-fluorophenyl)propanoate → 3-(5-bromo-2-fluorophenyl)propanoic acid (881189-58-8)

Guidance literature:

With methanol; sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 3h;

Reference yield:

(E)-methyl 3-(5-bromo-2-fluorophenyl)acrylate (1065168-05-9) → 3-(5-bromo-2-fluorophenyl)propanoic acid (881189-58-8)

Guidance literature:

Multi-step reaction with 2 steps

1: magnesium / methanol / Cooling

2: methanol; sodium hydroxide / tetrahydrofuran / 3 h / 20 °C

With methanol; magnesium; sodium hydroxide; In tetrahydrofuran; methanol;

Reference yield:

5-bromo-2-fluorobenzaldehyde (93777-26-5) → 3-(5-bromo-2-fluorophenyl)propanoic acid (881189-58-8)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene / Reflux

2: magnesium / methanol / Cooling

3: methanol; sodium hydroxide / tetrahydrofuran / 3 h / 20 °C

With methanol; magnesium; sodium hydroxide; In tetrahydrofuran; methanol; toluene;

upstream raw materials:

(E)-methyl 3-(5-bromo-2-fluorophenyl)acrylate

5-bromo-2-fluorobenzaldehyde