4-Fluorobutyric acid methyl ester

Base Information

• Chemical Name: 4-Fluorobutyric acid methyl ester
• CAS No.: 406-20-2
• Molecular Formula: C5H9 F O2
• Molecular Weight: 120.124
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID80193606
• Nikkaji Number: J42.916C
• Wikidata: Q83066358
• Mol file: 406-20-2.mol

Synonyms:methyl 4-fluorobutanoate;4-Fluorobutyric acid methyl ester;406-20-2;Methyl 4-fluorobutyrate;Methyl gamma-fluorobutyrate;Methylester kyseliny 4-fluormaselne [Czech];BUTYRIC ACID, 4-FLUORO-, METHYL ESTER;TL 1095;BRN 1744847;Methylester kyseliny 4-fluormaselne;DTXSID80193606;AKOS006277681;LS-48049

Chemical Property of 4-Fluorobutyric acid methyl ester

Chemical Property:

• Vapor Pressure: 29.9mmHg at 25°C
• Boiling Point: 105.1°Cat760mmHg
• Flash Point: 18°C
• PSA: 26.30000
• Density: 1.001g/cm³
• LogP: 0.90910
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 120.05865769
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

99% ^*data from raw suppliers

4-FLUOROBUTYRIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCF

Technology Process of 4-Fluorobutyric acid methyl ester

There total 1 articles about 4-Fluorobutyric acid methyl ester 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:

butanoic acid methyl ester (623-42-7) + hydrogen fluoride (7664-39-3,12381-92-9,32057-09-3,74835-82-8) → 4-butanolide (96-48-0) + 2-fluoro-butyric acid methyl ester (2253-23-8) + 3-fluoro-butyric acid methyl ester (2253-24-9) + 4-fluoro-butyric acid methyl ester (406-20-2)

Guidance literature:

bei der anodischen Fluorierung;

Reference yield:

4-fluoro-butyric acid methyl ester (406-20-2) + phenylmagnesium bromide → 2,2-diphenyl-tetrahydro-furan (887-15-0)

Guidance literature:

With diethyl ether;

DOI:10.1016/0040-4020(59)80068-5

Reference yield:

diethyl ether (60-29-7,927820-24-4) + 4-fluoro-butyric acid methyl ester (406-20-2) + phenylmagnesium bromide → 2,2-diphenyl-tetrahydro-furan (887-15-0)

Guidance literature:

DOI:10.1016/0040-4020(59)80068-5

upstream raw materials:

butanoic acid methyl ester

hydrogen fluoride

Downstream raw materials:

2,2-diphenyl-tetrahydro-furan

4-fluorobutanoic acid