Ethyl 2-chloro-2-phenylacetate

Base Information

• Chemical Name: Ethyl 2-chloro-2-phenylacetate
• CAS No.: 4773-33-5
• Molecular Formula: C₁₀H₁₁ClO₂
• Molecular Weight: 198.649
• Hs Code.: 2916399090
• European Community (EC) Number: 225-315-2
• NSC Number: 34191
• UNII: EW72P7QH5R
• DSSTox Substance ID: DTXSID301308521
• Nikkaji Number: J262.444C
• Mol file: 4773-33-5.mol

Synonyms:ethyl 2-chloro-2-phenylacetate;4773-33-5;Ethyl alpha-chlorophenylacetate;Ethyl chloro(phenyl)acetate;Ethyl chlorophenylacetate;Ethyl alpha-chlorobenzeneacetate;EINECS 225-315-2;Chloro-phenyl-acetic acid ethyl ester;NSC-34191;2-Chloro-2-phenylacetic acid ethyl ester;AI3-39186;Benzeneacetic acid, alpha-chloro-, ethyl ester;Ethyl 1-chlorophenylacetate;Ethylalpha-chlorophenylacetate;Ethyl2-chloro-2-phenylacetate;Ethyl-1-Chlorophenylacetate;EW72P7QH5R;Ethyl chloro(phenyl)acetate #;SCHEMBL287308;Ethyl alpha -chlorophenylacetate;ethyl 2-chloro-2-phenyl-acetate;chlorophenylacetic acid ethyl ester;DTXSID301308521;NSC34191;AM9762;MFCD00013675;NSC 34191;Ethyl alpha-chlorophenylacetate, 97%;AKOS000266304;AKOS016844056;CS-0151885;FT-0635437;EC-000.2074;EN300-08394;D81904;Benzenacetic acid, .alpha.-chloro-, ethyl ester

Chemical Property of Ethyl 2-chloro-2-phenylacetate

Chemical Property:

• Appearance/Colour: colorless transparent liquid
• Vapor Pressure: 0.0141mmHg at 25°C
• Refractive Index: n20/D 1.515(lit.)
• Boiling Point: 258 °C at 760 mmHg
• Flash Point: 118 °C
• PSA: 26.30000
• Density: 1.162 g/cm³
• LogP: 2.52960
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

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

Chloro-phenyl-aceticAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C1=CC=CC=C1)Cl

Technology Process of Ethyl 2-chloro-2-phenylacetate

There total 14 articles about Ethyl 2-chloro-2-phenylacetate 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: 95.0%

ethanol (64-17-5) + α-chlorophenylacetyl chloride (2912-62-1) → ethyl 2-chloro-2-phenylacetate (10606-73-2,99531-04-1,116836-53-4,4773-33-5)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃;

DOI:10.1055/s-2001-13395

Reference yield: 83.4%

α-chlorophenylacetyl chloride (2912-62-1) + triethylamine (121-44-8) → ethyl 2-chloro-2-phenylacetate (10606-73-2,99531-04-1,116836-53-4,4773-33-5)

Guidance literature:

In methanol; at 0 - 20 ℃; for 3.5h;

Reference yield: 83.4%

→ ethyl 2-chloro-2-phenylacetate (10606-73-2,99531-04-1,116836-53-4,4773-33-5)

Guidance literature:

upstream raw materials:

ethanol

Chloro-phenyl-acetic acid

hydroxy-phenyl-acetic acid ethyl ester

ethyl α,α-dichlorophenylacetate

Downstream raw materials:

dimethylthiocarbamoylsulfanyl-phenyl-acetic acid

butoxy-phenyl-acetic acid

styrene oxide

Chloro-phenyl-acetic acid

Refernces

• 1、 Carle, Myriam S.,Shimokura, Grace K.,Murphy, Graham K.. "Iodobenzene Dichloride in the Esterification and Amidation of Carboxylic Acids: In-Situ Synthesis of Ph3PCl2". supporting information. p. 3930 - 3933. Retrieved 2016/08/24.
• 2、 -. "Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions". Page/Page column 32-33. . Retrieved 2008/12/08.