Methyl 2-(3-fluorophenyl)acetate

Base Information

• Chemical Name: Methyl 2-(3-fluorophenyl)acetate
• CAS No.: 64123-77-9
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.168
• Hs Code.: 2916399090
• European Community (EC) Number: 805-048-3
• DSSTox Substance ID: DTXSID60370130
• Nikkaji Number: J937.622D
• Wikidata: Q72479093
• Mol file: 64123-77-9.mol

Synonyms:methyl 2-(3-fluorophenyl)acetate;64123-77-9;Methyl 3-Fluorophenylacetate;methyl (3-fluorophenyl)acetate;Benzeneacetic acid, 3-fluoro-, methyl ester;MFCD03093288;3-Fluorobenzeneacetic acid methyl ester;SCHEMBL74878;methyl2-(3-fluorophenyl)acetate;DTXSID60370130;OXYLCGRXCQARQV-UHFFFAOYSA-N;AKOS008910110;3-Fluorophenylacetic Acid Methyl Ester;KE-0722;(3-Fluorophenyl)acetic acid methyl ester;methyl 3-fluorophenylacetate, AldrichCPR;SY051263;(3-fluoro-phenyl)-acetic acid methyl ester;2-(3-Fluorophenyl)acetic acid methyl ester;A8802;CS-0088534;FT-0682649;M2536;EN300-6759421;J-521825

Chemical Property of Methyl 2-(3-fluorophenyl)acetate

Chemical Property:

• Vapor Pressure: 0.27mmHg at 25°C
• Refractive Index: 1.487-1.489
• Boiling Point: 204.0±15.0℃ (760 Torr)
• Flash Point: 75.3±15.3℃
• PSA: 26.30000
• Density: 1.148±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 1.54120
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.05865769
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(3-Fluorophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC(=CC=C1)F

Technology Process of Methyl 2-(3-fluorophenyl)acetate

There total 6 articles about Methyl 2-(3-fluorophenyl)acetate 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%

methanol (67-56-1) + (3-fluorophenyl)acetic acid (331-25-9) → methyl (3-fluorophenyl)acetate (64123-77-9)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1016/S0968-0896(03)00220-7

Reference yield: 96.0%

→ methyl (3-fluorophenyl)acetate (64123-77-9)

Guidance literature:

Reference yield:

(3-fluorophenyl)acetic acid (331-25-9) + diazomethyl-trimethyl-silane (18107-18-1) → methyl (3-fluorophenyl)acetate (64123-77-9)

Guidance literature:

In methanol; hexane; dichloromethane; at 0 - 20 ℃; for 0.25h;

upstream raw materials:

lithium methanolate

5-Fluoro-bicyclo[4.2.0]octa-1,3,5-trien-7-one

sodium methylate

methanol

Downstream raw materials:

methyl 3-(4-chlorophenyl)-2-(3-fluorophenyl)propionate

2-but-3-enyl-2-(3-fluoro-phenyl)-hex-5-enoic acid methyl ester

2-(3-fluorophenyl)ethanol

(R)-3-[1-(3-fluorophenyl)cycloheptanecarbonyloxy]-1-(5-phenyl[1,3,4]oxadiazol-2-ylmethyl)-1-azoniabicyclo[2.2.2]octane chloride