4-Chloro-2-methoxybenzoic acid

Base Information

• Chemical Name: 4-Chloro-2-methoxybenzoic acid
• CAS No.: 57479-70-6
• Molecular Formula: C8H7ClO3
• Molecular Weight: 186.595
• Hs Code.: 29189900
• European Community (EC) Number: 260-761-1
• DSSTox Substance ID: DTXSID10206091
• Nikkaji Number: J267.369J
• Wikidata: Q72453053
• Mol file: 57479-70-6.mol

Synonyms:4-Chloro-2-methoxybenzoic acid;57479-70-6;4-Chloro-o-anisic acid;2-methoxy-4-chlorobenzoic acid;4-chloro-2-methoxy-benzoic acid;Benzoic acid, 4-chloro-2-methoxy-;4-Chloro-ortho-anisic acid;EINECS 260-761-1;MFCD00002532;AI3-34239;2-Methoxy-4-Chloro Benzoic Acid;4-chloro-2-anisic acid;SCHEMBL927573;DTXSID10206091;4-Chloro-2-methoxybenzoic acid #;BCP27319;STL164374;AKOS005147188;4-Chloro-2-methoxybenzoic acid, 99%;AC-7285;CS-W019517;FS-3058;SY005484;AM20060675;C2076;FT-0612792;EN300-56168;A831458;W-105463;Z118458694

Chemical Property of 4-Chloro-2-methoxybenzoic acid

Chemical Property:

• Appearance/Colour: White crystalline powder.
• Vapor Pressure: 0.000194mmHg at 25°C
• Melting Point: 146-148 ºC
• Refractive Index: 1.5250 (estimate)
• Boiling Point: 314.7 °C at 760 mmHg
• PKA: 3.86±0.10(Predicted)
• Flash Point: 144.1 °C
• PSA: 46.53000
• Density: 1.352 g/cm³
• LogP: 2.04680
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.9
• 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:

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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)Cl)C(=O)O
• Uses: 4-Chloro-2-methoxybenzoic acid was used in the synthesis of (2-(4-chloro-2-methoxybenzoyl)-1′H-1,3′-bipyrrol-2′-yl)(2-methoxyphenyl)methanone.

Technology Process of 4-Chloro-2-methoxybenzoic acid

There total 8 articles about 4-Chloro-2-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:

4-chlorosalicylic acid (5106-98-9) + dimethyl sulfate (77-78-1) → 2-methoxy-4-chlorobenzoic acid (57479-70-6)

Guidance literature:

4-chlorosalicylic acid; With sodium hydroxide; In water; at 37 ℃; for 0.5h; pH=10;

dimethyl sulfate; With sodium hydroxide; In water; at 80 ℃; for 2.25h; pH=7 - 10;

Reference yield:

2,4 dichlorobenzoic acid (50-84-0) → 2-methoxy-4-chlorobenzoic acid (57479-70-6)

Guidance literature:

With hydrogenchloride; dimethyl amine; copper(I) chloride; In methanol; ice-water; water;

Reference yield:

methyl 4-chloro-2-methoxybenzoate (78955-90-5) → 2-methoxy-4-chlorobenzoic acid (57479-70-6)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

1-chloro-3-methoxy-benzene

4-chloro-2-methoxybenzaldehyde

methyl 4-chloro-2-methoxybenzoate

2,4 dichlorobenzoic acid

Downstream raw materials:

· 4-Chloro-2-methoxy-N-[2-(1-methyl-6-oxo-1,6-dihydro-[4,4']bipyrimidinyl-2-yl)-ethyl]-benzamide

2-[4-Chloro-2-(2-chloro-benzyloxy)-phenyl]-1-cyclohexylmethyl-5,6-difluoro-1H-benzoimidazole

2-(4-Chloro-2-cyclohexylmethoxy-phenyl)-1-cyclohexylmethyl-5,6-difluoro-1H-benzoimidazole

5-chloro-2-(1-cyclohexylmethyl-5,6-difluoro-1H-benzoimidazol-2-yl)-phenol

Refernces

• 1、 -. "A cyclotrimethoxone-substituted salicylate compound and anti-tumor effect thereof". Paragraph 0029-0031. . Retrieved 2017/07/19.
• 2、 -. "Method for producing o-alkoxybenzoic acid". . . Retrieved 2008/06/13.