Methyl 3-chloro-4-hydroxyphenylacetate

Base Information

• Chemical Name: Methyl 3-chloro-4-hydroxyphenylacetate
• CAS No.: 57017-95-5
• Molecular Formula: C9H9 Cl O3
• Molecular Weight: 200.622
• Hs Code.: 2918290000
• European Community (EC) Number: 260-514-8
• UNII: 53RG2QK7LJ
• DSSTox Substance ID: DTXSID10205625
• Nikkaji Number: J349.061K
• Wikidata: Q72489228
• ChEMBL ID: CHEMBL592128
• Mol file: 57017-95-5.mol

Synonyms:Methyl 3-chloro-4-hydroxyphenylacetate;57017-95-5;methyl 2-(3-chloro-4-hydroxyphenyl)acetate;Benzeneacetic acid, 3-chloro-4-hydroxy-, methyl ester;methyl 2-(3-chloro-4-hydroxy-phenyl)acetate;53RG2QK7LJ;3-Chloro-4-hydroxybenzeneacetic acid methyl ester;EINECS 260-514-8;MFCD00209663;methyl (3-chloro-4-hydroxyphenyl)acetate;Methyl3-chloro-4-hydroxyphenylacetate;UNII-53RG2QK7LJ;(3-Chloro-4-hydroxy-phenyl)-acetic acid methyl ester;CHEMBL592128;SCHEMBL2003361;DTXSID10205625;AKOS016001809;methyl 3-chloro-4-hyrdoxyphenylacetate;methyl-3-chloro-4-hydroxy-phenylacetate;AS-35469;CS-0113872;FT-0704156;METHYL 4-HYDROXY-3-CHLOROBENZENEACETATE;3-chloro-4-hydroxyphenylacetic acid methyl ester;3-chloro-4-hydroxybenzeneacetic acid, methyl ester;A856522

Chemical Property of Methyl 3-chloro-4-hydroxyphenylacetate

Chemical Property:

• Vapor Pressure: 0.00151mmHg at 25°C
• Boiling Point: 286.7°C at 760 mmHg
• Flash Point: 127.2°C
• PSA: 46.53000
• Density: 1.314g/cm³
• LogP: 1.76110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl3-Chloro-4-hydroxyphenylacetate ^*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)O)Cl
• Uses: Methyl 3-Chloro-4-hydroxyphenylacetate is a useful reagent for the preparation of benzenesulfonamide derivatives as ATP citrate lyase inhibitors.

Technology Process of Methyl 3-chloro-4-hydroxyphenylacetate

There total 9 articles about Methyl 3-chloro-4-hydroxyphenylacetate 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%

(3-chloro-4-hydroxy-phenyl)-acetic acid (33697-81-3) → methyl 3-chloro-4-hydroxyphenylacetate (57017-95-5)

Guidance literature:

With sulfuric acid; In methanol; at 68 ℃; for 15h;

Reference yield: 100.0%

methanol (67-56-1) + (3-chloro-4-hydroxy-phenyl)-acetic acid (33697-81-3) → methyl 3-chloro-4-hydroxyphenylacetate (57017-95-5)

Guidance literature:

With sulfuric acid; for 8h; Heating;

DOI:10.1016/j.bmcl.2006.05.055

Reference yield: 99.0%

(3-chloro-4-hydroxy-phenyl)-acetic acid (33697-81-3) → methyl 3-chloro-4-hydroxy acetate + methyl 3-chloro-4-hydroxyphenylacetate (57017-95-5)

Guidance literature:

With hydrogenchloride; In methanol; ethyl acetate;

upstream raw materials:

methanol

2-(3-chloro-4-methoxyphenyl)acetonitrile

N-(3-Chloro-4-hydroxyphenylacetyl)fumarate

(3-chloro-4-hydroxy-phenyl)-acetic acid

Downstream raw materials:

3-chloro-4-(4'-ethylbenzyloxy)-phenylacetic acid

3-chloro-4-benzyloxyphenylacetic acid

methyl 4-(3-(2-propyl-4-phenoxyphenoxy)propoxy)-3-chlorophenylacetate

3-chloro-4-dimethylcarbamoylthio-phenylacetic acid methyl ester

Refernces

• 1、 -. "CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES". Paragraph 0129; 0319. . Retrieved 2020/03/28.
• 2、 -. "ARYL OR N-HETEROARYL SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS". Page/Page column 60; 61. . Retrieved 2013/04/13.