Methyl 2-chlorophenylacetate

Base Information

• Chemical Name: Methyl 2-chlorophenylacetate
• CAS No.: 57486-68-7
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 29163990
• European Community (EC) Number: 260-764-8
• DSSTox Substance ID: DTXSID30206098
• Nikkaji Number: J296.712J
• Wikidata: Q72489374
• Mol file: 57486-68-7.mol

Synonyms:Methyl 2-chlorophenylacetate;57486-68-7;methyl 2-(2-chlorophenyl)acetate;Methyl (2-chlorophenyl)acetate;Methyl2-Chlorophenylacetate;benzeneacetic acid, 2-chloro-, methyl ester;2-Chlorophenylacetic acid methylester;EINECS 260-764-8;MFCD00137445;2-Chlorobenzeneacetic acid methyl ester;(2-Chlorophenyl)acetic Acid Methyl Ester;methyl(2-chlorophenyl)acetate;2-chlorophenylacetic acid methyl ester;methyl o-chlorophenylacetate;SCHEMBL872658;Methyl-2-Chloro Phenyl Acetate;DTXSID30206098;AKOS008910004;methyl 2-(2,6-chlorophenyl) acetate;SY021282;(2-chlorophenyl)-acetic acid methyl ester;(2-Chloro-phenyl)-acetic acid methyl ester;C1740;CS-0030578;FT-0640461;EN300-64539;J-509165;Z24820310

Chemical Property of Methyl 2-chlorophenylacetate

Chemical Property:

• Appearance/Colour: clear colorless liquid.
• Vapor Pressure: 0.0382mmHg at 25°C
• Refractive Index: 1.524-1.526
• Boiling Point: 240.3 °C at 760 mmHg
• Flash Point: 108.8 °C
• PSA: 26.30000
• Density: 1.197 g/cm³
• LogP: 2.05550
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• 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:

99% ^*data from raw suppliers

Methyl (2-Chlorophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R23/25:吸入和不慎吞咽有毒
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC=CC=C1Cl

Technology Process of Methyl 2-chlorophenylacetate

There total 15 articles about Methyl 2-chlorophenylacetate 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) + 2'-chloro-benzeneacetic acid (2444-36-2) → methyl (2-chlorophenyl)acetate (57486-68-7)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

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

Reference yield: 97.0%

2'-chloro-benzeneacetic acid (2444-36-2) + trimethyl orthoformate (149-73-5) → methyl (2-chlorophenyl)acetate (57486-68-7)

Guidance literature:

With sulfuric acid; In methanol; water; at 20 ℃; for 4h;

Reference yield: 86.0%

methanol (67-56-1) + 1-(2-chlorophenyl)ethanone (2142-68-9) → methyl (2-chlorophenyl)acetate (57486-68-7)

Guidance literature:

With sulfuric acid; trimethyl orthoformate; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2007.02.129

upstream raw materials:

methanol

2'-chloro-benzeneacetic acid

2-Chlorophenylacetonitrile

2-Methoxyacetophenone

Downstream raw materials:

2-(2-chlorophenyl)pent-4-enoic acid

5-chloro-α-(2-chlorophenyl)-2-nitrophenylacetaldehyde

2-(2-amino-5-chlorophenyl)-2-(2-chlorophenyl)ethanol

2-(2-chlorophenyl)-2-(5-chloro-2-nitrophenyl)ethanol

Refernces

• 1、 Yang, Xiumei,Chen, Xiahong,Xu, Yankun,Zhang, Minghao,Deng, Guobo,Yang, Yuan,Liang, Yun. "Palladium-Catalyzed [4 + 3] or [2 + 2 + 3] Annulation via C-H Activation and Subsequent Decarboxylation: Access to Heptagon-Embedded Polycyclic Aromatic Hydrocarbons". supporting information. p. 2610 - 2615. Retrieved 2021/04/12.
• 2、 Dong, Xiao,Yoon, Tehshik P.,Zheng, Jian. "Divergent Photocatalytic Reactions of α-Ketoesters under Triplet Sensitization and Photoredox Conditions". supporting information. . Retrieved 2020/09/02.