Methyl 2-(3-chlorophenyl)acetate

Base Information

• Chemical Name: Methyl 2-(3-chlorophenyl)acetate
• CAS No.: 53088-68-9
• Molecular Formula: C9H9 Cl O2
• Molecular Weight: 184.622
• Hs Code.: 2916399090
• European Community (EC) Number: 816-150-2
• DSSTox Substance ID: DTXSID70369934
• Nikkaji Number: J937.621F
• Wikidata: Q72489370
• Mol file: 53088-68-9.mol

Synonyms:53088-68-9;methyl 2-(3-chlorophenyl)acetate;Methyl 3-Chlorophenylacetate;Methyl (3-Chlorophenyl)acetate;(3-Chlorophenyl)acetic Acid Methyl Ester;MFCD00800679;Phenylacetic acid, 3-chloro, methyl ester;Benzeneacetic acid, 3-chloro-, methyl ester;(3-chloro-phenyl)-acetic acid methyl ester;Methyl(3-Chlorophenyl)acetate;SCHEMBL378633;DTXSID70369934;Methyl 2-(m-chlorophenyl)acetate;AB9674;3-Chlorophenylacetic acid methyl ester;AKOS011794241;m-Chloro Phenylacetic Acid Methyl Ester;AS-12072;SY053038;(3-chloro-phenyl)acetic acid methyl ester;(3-chloro-phenyl) acetic acid methyl ester;CS-0088560;FT-0640129;M2142;EN300-305420;A829395;Methyl 3-chlorophenylacetate;1,1,2-TRIFLUORO-2-CHLOROETHYL2,2,2-TRIFLUOROETHYLETHER

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

Chemical Property:

• Vapor Pressure: 0.0382mmHg at 25°C
• Refractive Index: 1.5225-1.5245
• Boiling Point: 240.3°Cat760mmHg
• Flash Point: 108.8°C
• PSA: 26.30000
• Density: 1.197g/cm³
• LogP: 2.05550
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl (3-Chlorophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 10 articles about Methyl 2-(3-chlorophenyl)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-chlorophenylacetic acid (1878-65-5) → methyl 3-chlorophenylacetate (53088-68-9)

Guidance literature:

With sulfuric acid; for 1h; Heating;

DOI:10.1016/S0040-4020(97)00837-5

Reference yield: 100.0%

3-chlorophenylacetic acid (1878-65-5) → 4-[1-[3-chloro-4-[1N'-(2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinyl]methoxybenzoic Acid + methyl 3-chlorophenylacetate (53088-68-9)

Guidance literature:

With sulfuric acid; In methanol; 1,1-dichloroethane;

Reference yield: 63.0%

3-chlorophenylacetic acid (1878-65-5) + methyl iodide (74-88-4) → methyl 3-chlorophenylacetate (53088-68-9)

Guidance literature:

3-chlorophenylacetic acid; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 20 ℃; for 1h;

methyl iodide; In toluene; at 20 ℃; for 48h;

DOI:10.1016/j.ejmech.2017.04.033

upstream raw materials:

methanol

3-chlorophenylacetic acid

3-methyl-1-p-tolyltriazene

2-bromo-1-(3-chlorophenyl)-1,1-dimethoxyethane

Downstream raw materials:

2-(3-chlorophenyl)ethanol

(+/-)-α-bromo-(3-chlorophenyl)acetic acid methyl ester

2-(3-chloro-phenyl)-4-hydroxy-hexanoic acid methyl ester

methyl 3-chlorophenyldiazoacetate

Refernces

• 1、 Liang, Ren-Xiao,Chen, Ru-Yi,Zhong, Chao,Zhu, Jia-Wen,Cao, Zhong-Yan,Jia, Yi-Xia. "3,3′-Disubstituted Oxindoles Formation via Copper-Catalyzed Arylboration and Arylsilylation of Alkenes". supporting information. p. 3215 - 3218. Retrieved 2020/04/10.
• 2、 Ji, Xiaoming,Wei, Feng,Wan, Bin,Cheng, Cang,Zhang, Yanghui. "Palladium-catalyzed intermolecular C-H silylation initiated by aminopalladation". supporting information. p. 7801 - 7804. Retrieved 2020/07/27.