4-Chloro-3-methoxybenzoic acid

Base Information

• Chemical Name: 4-Chloro-3-methoxybenzoic acid
• CAS No.: 85740-98-3
• Molecular Formula: C8H7ClO3
• Molecular Weight: 186.595
• Hs Code.: 2918990090
• European Community (EC) Number: 804-566-7
• DSSTox Substance ID: DTXSID10366245
• Nikkaji Number: J2.185.348H
• Wikidata: Q72453049
• ChEMBL ID: CHEMBL1622754
• Mol file: 85740-98-3.mol

Synonyms:4-Chloro-3-methoxybenzoic acid;85740-98-3;4-chloro-3-methoxy-benzoic Acid;Benzoic acid, 4-chloro-3-methoxy-;3-methoxy-4-chlorobenzoic acid;MFCD00269640;4-Chloro-3-methoxybenzoicacid;4-chloro-3-methoxy benzoic acid;4-Chloro-m-anisic Acid;SCHEMBL411025;CHEMBL1622754;DTXSID10366245;3-Methoxy 4-Chloro Benzoic Acid;OXUUNDMDOOXPKY-UHFFFAOYSA-N;BBL104210;CL8115;STL558074;AKOS003307382;CS-W019523;FS-2601;SB39077;AC-26024;4-Chloro-3-methoxybenzoic acid, AldrichCPR;AM20041251;C3304;FT-0600629;EN300-93469;J-515014;Z1741972864

Chemical Property of 4-Chloro-3-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 9.44E-05mmHg at 25°C
• Melting Point: 217.0 to 221.0 °C
• Refractive Index: 1.562
• Boiling Point: 325.4 °C at 760 mmHg
• PKA: 3.85±0.10(Predicted)
• Flash Point: 150.6 °C
• PSA: 46.53000
• Density: 1.352 g/cm³
• LogP: 2.04680
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• 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:

99% ^*data from raw suppliers

4-Chloro-3-methoxybenzoic Acid >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 36/37/38-50-25
• Safety Statements: 26-36/37/39-61-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-3-methoxybenzoic acid

There total 7 articles about 4-Chloro-3-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: 92.0%

2-chloro-5-methylanisole (73909-16-7) → 4-chloro-3-methoxybenzoic acid (85740-98-3)

Guidance literature:

With potassium permanganate; In pyridine; water; 1.) 50 deg C, 24 h, 2.) RT, 13 h;

DOI:10.1021/jm00101a018

Reference yield: 91.3%

methylene chloride (74-87-3) + 3-Carboxyphenol (99-06-9) → 4-chloro-3-methoxybenzoic acid (85740-98-3)

Guidance literature:

3-Carboxyphenol; With carbon disulfide; gold; hypochloric acid; sodium hydroxide; at 60 ℃; for 3h; pH=10; Autoclave; Molecular sieve;

methylene chloride; at 20 ℃; for 4h; Temperature; pH-value; Autoclave; Molecular sieve;

Reference yield: 90.0%

(4-chloro-3-methoxyphenyl)methan-1-ol (13726-17-5) → 4-chloro-3-methoxybenzoic acid (85740-98-3)

Guidance literature:

With pyridine; potassium permanganate; In water; at 50 ℃; for 24h;

DOI:10.3390/molecules26216489

upstream raw materials:

methyl bisulfate

4'-chloro-3'-hydroxyacetophenone

2-chloro-5-methylanisole

3-Methoxybenzoic acid

Downstream raw materials:

1-(4-chloro-3-methoxyphenyl)-2-aminoethanol

4-chloro-3-methoxybenzaldehyde

(4-chloro-3-methoxyphenyl)methan-1-ol

4-chloro-5-methoxy-2-(2H-1,2,3-triazol-2-yl)benzoic acid

Refernces

• 1、 Gamal El-Din, Mahmoud M.,El-Gamal, Mohammed I.,Abdel-Maksoud, Mohammed S.,Yoo, Kyung Ho,Oh, Chang-Hyun. "Design, synthesis, in vitro potent antiproliferative activity, and kinase inhibitory effects of new triarylpyrazole derivatives possessing different heterocycle terminal moieties". . p. 1534 - 1543. Retrieved 2019/09/04.
• 2、 -. "PLATELET ADP RECEPTOR INHIBITORS". Paragraph 0200. . Retrieved 2016/08/17.