(3-Chloro-4-methoxyphenyl)acetic acid

Base Information

• Chemical Name: (3-Chloro-4-methoxyphenyl)acetic acid
• CAS No.: 13721-20-5
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• Hs Code.: 2918990090
• European Community (EC) Number: 833-591-6
• DSSTox Substance ID: DTXSID10405502
• Nikkaji Number: J450.795I
• Wikidata: Q82210083
• Mol file: 13721-20-5.mol

Synonyms:13721-20-5;(3-chloro-4-methoxyphenyl)acetic acid;2-(3-chloro-4-methoxyphenyl)acetic acid;3-chloro-4-methoxyphenylacetic acid;Benzeneacetic acid, 3-chloro-4-methoxy-;Benzeneacetic acid,3-chloro-4-methoxy-;3-Chloro-4-methoxybenzeneacetic acid;[3-Chloro-4-(methyloxy)phenyl]acetic acid;SCHEMBL921998;DTXSID10405502;MFCD02664697;AKOS000296248;AS-64048;BB 0256703;C3311;FT-0679178;EN300-78454;T70235;Z1205414415

Chemical Property of (3-Chloro-4-methoxyphenyl)acetic acid

Chemical Property:

• Vapor Pressure: 4.9E-05mmHg at 25°C
• Melting Point: 92.0 to 97.0 °C
• Refractive Index: 1.553
• Boiling Point: 334.9 °C at 760 mmHg
• Flash Point: 156.3 °C
• PSA: 46.53000
• Density: 1.312 g/cm³
• LogP: 1.97570
• Solubility.: soluble in Methanol
• XLogP3: 1.8
• 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

3-Chloro-4-methoxyphenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CC(=O)O)Cl

Technology Process of (3-Chloro-4-methoxyphenyl)acetic acid

There total 10 articles about (3-Chloro-4-methoxyphenyl)acetic acid 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: 85.2%

3-chloro-4-methoxybenzyl chloride (13719-57-8) + carbon monoxide (201230-82-2) → 2-(3-chloro-4-methoxyphenyl)acetic acid (13721-20-5)

Guidance literature:

With cobalt(II) pyridine-2-carboxylate; palladium diacetate; sodium hydroxide; In methanol; at 150 ℃; for 5h; under 11251.1 Torr; Temperature; Reagent/catalyst; Autoclave;

Reference yield: 84.0%

4-acetyl-2-chloroanisole (37612-52-5) → 2-(3-chloro-4-methoxyphenyl)acetic acid (13721-20-5)

Guidance literature:

With sodium hydroxide; lead(IV) tetraacetate; In 1,4-dioxane; methanol; water; toluene;

Reference yield: 50.0%

4-Methoxyphenylacetic acid (104-01-8) → 2-(3-chloro-4-methoxyphenyl)acetic acid (13721-20-5)

Guidance literature:

4-Methoxyphenylacetic acid; With Oxone; In acetone; at 20 ℃; for 0.25h;

With sodium chloride; In acetone; for 6h;

upstream raw materials:

4-Methoxyphenylacetic acid

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

4-acetyl-2-chloroanisole

water

Downstream raw materials:

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

2-(2-hydroxy-4-methoxyphenyl)acetic acid

2-(3-Chloro-4-methoxyphenyl)glyoxylic acid

C₉H₈Cl₂O₂

Refernces

• 1、 -. "SEROTONIN RECEPTOR-TARGETING COMPOUNDS AND METHODS". Page/Page column 00208. . Retrieved 2015/12/08.
• 2、 -. "Substituted isoxazoles for the treatment of inflammation". Page 31. . Retrieved 2010/11/30.