Methyl 4-(4-fluorophenyl)butanoate

Base Information

• Chemical Name: Methyl 4-(4-fluorophenyl)butanoate
• CAS No.: 20637-05-2
• Molecular Formula: C11H13FO2
• Molecular Weight: 196.221
• DSSTox Substance ID: DTXSID60174670
• Nikkaji Number: J102.159A
• Wikidata: Q83044775
• Mol file: 20637-05-2.mol

Synonyms:Methyl 4-(4-fluorophenyl)butanoate;20637-05-2;4-(4-Fluorophenyl)butanoic acid methyl ester;4-(p-Fluorophenyl)butyric acid methyl ester;Butyric acid, 4-(p-fluorophenyl)-, methyl ester;SCHEMBL6076198;DTXSID60174670;LH0081;MFCD09835994;AKOS000349058;D84523

Chemical Property of Methyl 4-(4-fluorophenyl)butanoate

Chemical Property:

• Vapor Pressure: 0.00972mmHg at 25°C
• Boiling Point: 264.4°Cat760mmHg
• Flash Point: 110.3°C
• Density: 1.093g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 196.08995782
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

METHYL-4-(4-FLUOROPHENYL)BUTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCC1=CC=C(C=C1)F

Technology Process of Methyl 4-(4-fluorophenyl)butanoate

There total 7 articles about Methyl 4-(4-fluorophenyl)butanoate 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: 100.0%

(E)-4-(4-Fluoro-phenyl)-but-2-enoic acid methyl ester → methyl 4-(4-fluorophenyl)butanoate (20637-05-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/S0960-894X(00)00703-4

Reference yield: 89.0%

para-fluorostyrene (405-99-2) + Methyl thioglycolate (2365-48-2) → methyl 4-(4-fluorophenyl)butanoate (20637-05-2)

Guidance literature:

With {Au(dppm)}2Cl₂; triphenylphosphine; In acetonitrile; Irradiation;

DOI:10.1021/acscatal.9b01368

Reference yield:

4-(4-fluorophenyl)butanoic acid (589-06-0) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 4-(4-fluorophenyl)butanoate (20637-05-2)

Guidance literature:

In methanol; diethyl ether; at 20 ℃; for 1h;

upstream raw materials:

diazomethane

4-(4-fluorophenyl)butanoic acid

4-fluorophenylacetaldehyde

diazomethyl-trimethyl-silane

Downstream raw materials:

methyl 4-(4-fluoro-2-nitrophenyl)butanoate

4-(4-fluorophenyl)-1-butanol

4-(4-fluorophenyl)butan-1-al

methyl 4-(2-acetylamino-4-fluorophenyl)butanoate