2-Bromo-2-fluoropropanoic acid

Base Information

• Chemical Name: 2-Bromo-2-fluoropropanoic acid
• CAS No.: 132629-22-2
• Molecular Formula: C₃H₄BrFO₂
• Molecular Weight: 170.966
• Hs Code.: 2915907098
• DSSTox Substance ID: DTXSID30473465
• Mol file: 132629-22-2.mol

Synonyms:2-bromo-2-fluoropropanoic acid;132629-22-2;2-BROMO-2-FLUOROPROPIONIC ACID;SCHEMBL136508;DTXSID30473465;Propanoic acid, 2-bromo-2-fluoro-;CS-0337841

Chemical Property of 2-Bromo-2-fluoropropanoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 1.15160
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 169.93787
• Heavy Atom Count: 7
• Complexity: 94.9

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-2-fluoropropionicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)(F)Br

Technology Process of 2-Bromo-2-fluoropropanoic acid

There total 2 articles about 2-Bromo-2-fluoropropanoic 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: 52.0%

ethyl 2-bromo-2-fluoropropionate (108221-67-6) → 2-bromo-2-fluoropropionic acid (132629-22-2)

Guidance literature:

With hydrogenchloride; In ethanol; at 40 ℃; for 72h;

DOI:10.1016/0022-1139(93)03049-R

Reference yield: 23.3%

methyl α-bromo-α-fluoropropionate → methyl 2-bromoacrylate (4519-46-4) + 2-bromo-2-fluoropropionic acid (132629-22-2)

Guidance literature:

With hydrogen fluoride; antimonypentachloride; at 40 - 80 ℃; for 6h; under 750.075 Torr;

upstream raw materials:

ethyl 2-bromo-2-fluoropropionate

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