Methyl 2-[4-(chloromethyl)phenyl]acetate

Base Information

• Chemical Name: Methyl 2-[4-(chloromethyl)phenyl]acetate
• CAS No.: 95360-33-1
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20503104
• Wikidata: Q82356642
• Mol file: 95360-33-1.mol

Synonyms:72770-09-3;METHYL 2-[4-(CHLOROMETHYL)PHENYL]ACETATE;Methyl 2-(4-(chloromethyl)phenyl)acetate;4-(CHLOROMETHYL)-PHENYLACETIC ACID METHYL ESTER;4-(Chloromethyl)-benzeneacetic acid methyl ester;4-(chloromethyl)phenylacetic acid methyl ester;SCHEMBL4019274;DTXSID20503104;VDA36033;Methyl (4-chloromethylphenyl)acetate;AKOS006302629;Methyl [4-(chloromethyl)phenyl]acetate;Methyl2-(4-(chloromethyl)phenyl)acetate;4-(chloroMethyl)phenylacetic Methyl ester;AS-67382;Methyl alpha-Chloro-4-Methylphenylacetate;4-(Chloromethyl)benzeneacetic acid methyl ester;A50735;A918237;4-CHLOROMETHYLPHENYLACETIC ACID METHYL ESTER

Chemical Property of Methyl 2-[4-(chloromethyl)phenyl]acetate

Chemical Property:

• Boiling Point: 272.2±20.0 °C(Predicted)
• Flash Point: 128.4 °C (predict)
• PSA: 26.30000
• Density: 1.168±0.06 g/cm3(Predicted)
• LogP: 2.14090
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99%min ^*data from raw suppliers

2-(Chloromethyl)-benzeneaceticacidmethylester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC=C(C=C1)CCl
• Uses: 2-(chloromethyl)-methyl ester benzeneacetic acid is a building block compound, and has been used as a component of Flavonoid as an aromatase inhibitor.

Technology Process of Methyl 2-[4-(chloromethyl)phenyl]acetate

There total 4 articles about Methyl 2-[4-(chloromethyl)phenyl]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) + isochroman-3-one (4385-35-7) → methyl 2-(chloromethyl)phenylacetate (95360-33-1)

Guidance literature:

With thionyl chloride; In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl-formamide; at 20 - 30 ℃; for 4h; Solvent;

Reference yield: 98.0%

isochroman-3-one (4385-35-7) → methyl 2-(chloromethyl)phenylacetate (95360-33-1)

Guidance literature:

With hydrogenchloride; In methanol; dichloromethane;

Reference yield:

methanol (67-56-1) + 2-chloromethylphenylacetic acid (95335-46-9) → methyl 2-(chloromethyl)phenylacetate (95360-33-1)

Guidance literature:

2-chloromethylphenylacetic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 0.25h; Inert atmosphere;

methanol; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere;

upstream raw materials:

methanol

isochroman-3-one

2-chloromethylphenylacetic acid

2-chloromethylphenylacetyl chloride

Downstream raw materials:

methyl 2-(2-chloromethylphenyl)-3-hydroxyacrylate

2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenylacetic acid methyl ester

methyl 2-(2-chloromethyl phenyl)-3,3-dimethoxypropionate

methyl 2-(2'-chloromethylphenyl)-3-methoxyacrylate

Refernces

• 1、 -. "Preparation method of picoxystrobin intermediate 2-(2-chloromethyl phenyl)-3-methyl methoxyacrylate". . . Retrieved 2019/05/28.
• 2、 -. "Flavonoid aromatizing enzyme inhibitor as well as preparation method and application thereof". Paragraph 0045. . Retrieved 2018/07/30.