2-Fluorobutyric acid

Base Information

• Chemical Name: 2-Fluorobutyric acid
• CAS No.: 433-44-3
• Molecular Formula: C4H7FO2
• Molecular Weight: 106.097
• Hs Code.: 2915907098
• European Community (EC) Number: 838-702-1
• NSC Number: 84353
• DSSTox Substance ID: DTXSID701314784
• Nikkaji Number: J48.520I
• Wikidata: Q65057777
• Mol file: 433-44-3.mol

Synonyms:2-fluorobutanoic acid;2-Fluorobutyric acid;433-44-3;alpha-Fluorobutanoic acid;BUTYRIC ACID, 2-FLUORO-;Butanoic acid, 2-fluoro-;NSC 84353;BRN 1745517;AI3-28551;C4H7FO2;fluorobutyric acid;2-fluorobutanoicacid;WLN: QVYF2;SCHEMBL310632;DTXSID701314784;Butanoic acid, 2-fluoro- (9CI);NSC84353;NSC-84353;AKOS006376632;AT27710;LS-48033;EN300-122010;Q65057777;F2147-5487

Chemical Property of 2-Fluorobutyric acid

Chemical Property:

• Boiling Point: 174.1°Cat760mmHg
• Flash Point: 59.1°C
• PSA: 37.30000
• Density: 1.116g/cm³
• LogP: 0.81910
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 106.04300762
• Heavy Atom Count: 7
• Complexity: 72.1

Purity/Quality:

98%min ^*data from raw suppliers

2-FLUOROBUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)F

Technology Process of 2-Fluorobutyric acid

There total 2 articles about 2-Fluorobutyric 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: 35.0%

dimethyl-(1-trimethylsilanyloxybut-1-enyl)-amine (64728-12-7) → α-Fluorobutyric acid (433-44-3) + 2-Fluoro-N,N-dimethyl-butyramide (126543-33-7)

Guidance literature:

With fluorine; In trichlorofluoromethane; at -78 ℃;

DOI:10.1021/jo00297a090

Reference yield:

hydrogen fluoride (7664-39-3,12381-92-9,32057-09-3,74835-82-8) + butyric acid (107-92-6) → 3-fluorobutyric acid (2105-80-8) + 4-fluorobutanoic acid (462-23-7) + α-Fluorobutyric acid (433-44-3) + propyl butanoate (105-66-8)

Guidance literature:

Produkt 5: Propan-1-ol;

upstream raw materials:

dimethyl-(1-trimethylsilanyloxybut-1-enyl)-amine

hydrogen fluoride

butyric acid

Refernces