Methyl 2-(4-fluorophenyl)propanoate

Base Information

• Chemical Name: Methyl 2-(4-fluorophenyl)propanoate
• CAS No.: 50415-71-9
• Molecular Formula: C10H11FO2
• Molecular Weight: 182.195
• DSSTox Substance ID: DTXSID201281726
• Nikkaji Number: J1.201.294B
• Mol file: 50415-71-9.mol

Synonyms:Methyl 2-(4-fluorophenyl)propanoate;50415-71-9;Benzeneacetic acid, 4-fluoro-alpha-methyl-, methyl ester;SCHEMBL2170797;HRSNKYJSOMIHNH-UHFFFAOYSA-N;DTXSID201281726;AKOS011681246;Rac-methyl 2-(4-fluorophenyl)propanoate;Methyl 4-fluoro-alpha-methylbenzeneacetate;FT-0761043;EN300-1138095

Chemical Property of Methyl 2-(4-fluorophenyl)propanoate

Chemical Property:

• Boiling Point: 214.7±15.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.112±0.06 g/cm3(Predicted)
• LogP: 2.10220
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 182.07430775
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(4-fluorophenyl)propanoate

There total 21 articles about Methyl 2-(4-fluorophenyl)propanoate 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: 97.0%

methanol (67-56-1) + (+/-)-2-(4-flurophenyl)propanoic acid (75908-73-5) → methyl 2-(4-fluorophenyl)propanoate (50415-71-9)

Guidance literature:

With sulfuric acid; at 85 ℃; for 16h;

Reference yield: 93.0%

1-(4-fluorophenyl)propan-1-one (456-03-1) + trimethyl orthoformate (149-73-5) → methyl 2-(4-fluorophenyl)propanoate (50415-71-9)

Guidance literature:

With sulfuric acid; N-trifluoromethanesulfonyl-4-(diacetoxyiodo)pyrazole; at 60 ℃; for 2h;

DOI:10.1021/jo001186n

Reference yield: 89.0%

4-fluorobenzeneacetic acid methyl ester (34837-84-8) + methyl iodide (74-88-4) → methyl 2-(4-fluorophenyl)propanoate (50415-71-9)

Guidance literature:

4-fluorobenzeneacetic acid methyl ester; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.333333h;

methyl iodide; In tetrahydrofuran; hexane; at 0 ℃; for 0.5h;

DOI:10.1021/jo034253x

upstream raw materials:

1-(4-fluorophenyl)propan-1-one

sodium methylate

Methanesulfonic acid 2-(4-fluoro-phenyl)-2,2-dimethoxy-1-methyl-ethyl ester

trimethyl orthoformate

Downstream raw materials:

(+/-)-2-(4-flurophenyl)propanoic acid

methyl 2-(4-fluorophenyl)-2,5-dimethylhexanoate

Methyl 2-(4-fluorophenyl)-2,5,5-trimethylhexanoate

methyl 2-(4-fluoro-3-nitrophenyl)propanoate