2-Fluoro-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-Fluoro-3-phenylpropanoic acid
• CAS No.: 457-45-4
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.168
• European Community (EC) Number: 864-572-0
• NSC Number: 84357
• DSSTox Substance ID: DTXSID201307075
• Nikkaji Number: J49.293K
• Mol file: 457-45-4.mol

Synonyms:2-fluoro-3-phenylpropanoic acid;457-45-4;alpha-Fluorohydrocinnamic acid;Benzenepropanoic acid, a-fluoro-;NSC 84357;HYDROCINNAMIC ACID, alpha-FLUORO-;BRN 2362893;alpha-Fluorobenzenepropanoic acid;Benzenepropanoic acid, alpha-fluoro-;4-09-00-01766 (Beilstein Handbook Reference);WLN: QVYF1R;SCHEMBL246475;2-fluoro-3-phenylpropanoicacid;.alpha.-Fluorohydrocinnamic acid;DTXSID201307075;NSC84357;CCG-40484;Hydrocinnamic acid, .alpha.-fluoro-;NSC-84357;AKOS017532213;Benzenepropanoic acid, .alpha.-fluoro-;LS-77196;CS-0232579;EN300-127676;F2147-5620

Chemical Property of 2-Fluoro-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 0.00196mmHg at 25°C
• Boiling Point: 279.1°Cat760mmHg
• Flash Point: 122.6°C
• Density: 1.207g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.05865769
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluoro-3-phenylpropanoic acid

There total 19 articles about 2-Fluoro-3-phenylpropanoic 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%

2-fluoro-3-phenyl propane-1-oate de methyle (136291-66-2) → (±)-2-fluoro-3-phenylpropanoic acid (457-45-4)

Guidance literature:

With formic acid;

DOI:10.1016/S0040-4039(00)60570-1

Reference yield: 90.0%

2-Fluoro-3-phenyl-propionic acid isopropyl ester → (±)-2-fluoro-3-phenylpropanoic acid (457-45-4)

Guidance literature:

With formic acid;

DOI:10.1016/S0040-4039(00)60570-1

Reference yield: 40.0%

2-fluoro-3-phenylpropanal (107365-23-1) → (±)-2-fluoro-3-phenylpropanoic acid (457-45-4)

Guidance literature:

With Oxone; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1002/anie.201506035

upstream raw materials:

Phenylalanine

diethyl 2-benzyl-2-fluoromalonate

ethyl (E)-2-fluoro-3-phenylacrylate

ethyl 2-fluoro-3-phenylpropanoate

Downstream raw materials:

(2-fluoro-2-iodoethyl)benzene

(2-bromo-2-fluoroethyl)benzene

(2-fluoro-5-phenylpentyl)benzene

(2-fluoro-2-chloroethyl)benzene