2-Chloro-4-methoxybenzoic acid

Base Information

• Chemical Name: 2-Chloro-4-methoxybenzoic acid
• CAS No.: 21971-21-1
• Molecular Formula: C8H7ClO3
• Molecular Weight: 186.595
• Hs Code.: 2918990090
• European Community (EC) Number: 642-810-2
• DSSTox Substance ID: DTXSID50505616
• Nikkaji Number: J2.471.182J
• Wikidata: Q72453062
• Mol file: 21971-21-1.mol

Synonyms:2-Chloro-4-methoxybenzoic acid;21971-21-1;2-chloro-4-methoxy-benzoic acid;2-chloro-4-(methyloxy)benzoic acid;MFCD00085943;2-chloro-4-methoxybenzoicacid;Benzoic acid, 2-chloro-4-methoxy-;2-Chloranissaure;2-Chloro-p-anisic Acid;SCHEMBL295414;4-methoxy-2-chloro-benzoic acid;DTXSID50505616;IBANGHTVBPZCHF-UHFFFAOYSA-N;AC-243;CL8037;AKOS008135477;AM83993;CS-W016876;FS-2045;SB35483;SY057181;2-chloro-4-methoxybenzoic acid, AldrichCPR;A4708;C3077;FT-0650266;EN300-72561;J-508693;Z431962480

Chemical Property of 2-Chloro-4-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 210.0 to 214.0 °C
• Refractive Index: 1.562
• Boiling Point: 303.039 °C at 760 mmHg
• PKA: 3.32±0.25(Predicted)
• Flash Point: 137.074 °C
• PSA: 46.53000
• Density: 1.353 g/cm³
• LogP: 2.04680
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly, S
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.0083718
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-4-methoxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C(=O)O)Cl
• Uses: 2-Chloro-4-Methoxybenzoic Acid has been used as a reactant for the preparation of benzamidochromenone carboxylic acids as selective agonists for orphan G protein-coupled receptor GPR35

Technology Process of 2-Chloro-4-methoxybenzoic acid

There total 15 articles about 2-Chloro-4-methoxybenzoic 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: 77.0%

2-chloro-4-hydroxybenzoic acid (56363-84-9) + dimethyl sulfate (77-78-1) → 2-chloro-4-methoxybenzoic acid (21971-21-1)

Guidance literature:

With potassium carbonate; In acetone; for 6h; Heating;

DOI:10.1021/jm030594r

Reference yield: 75.0%

4-methoxybenzoic acid (100-09-4) → 2-chloro-4-methoxybenzoic acid (21971-21-1)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; hexachloroethane; sec.-butyllithium; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1021/jo070082a

Reference yield: 65.0%

2-chloro-4-methoxyacetophenone (41068-36-4) → 2-chloro-4-methoxybenzoic acid (21971-21-1)

Guidance literature:

With sodium hydroxide; bromine; In 1,4-dioxane; at 60 ℃; for 4h;

DOI:10.1002/ardp.19903230204

upstream raw materials:

2-chloro-4-methoxy-1-methylbenzene

2-chloro-4-methoxybenzyl chloride

sodium acetate

4-methoxyanthranilic acid

Downstream raw materials:

2-chloro-4-hydroxybenzoic acid

5-methoxydiphenylamine-2-carboxylic acid

4-methoxy-2-phenoxy-benzoic acid

(2-chloro-4-methoxyphenyl)methanol