Methyl 3-chloro-4-hydroxy-5-methoxybenzoate

Base Information

• Chemical Name: Methyl 3-chloro-4-hydroxy-5-methoxybenzoate
• CAS No.: 1205-50-1
• Molecular Formula: C9H9 Cl O4
• Molecular Weight: 216.621
• Hs Code.: 2918990090
• European Community (EC) Number: 214-884-2
• DSSTox Substance ID: DTXSID10152882
• Nikkaji Number: J217.050G
• Wikidata: Q83019656
• Mol file: 1205-50-1.mol

Synonyms:Methyl 3-chloro-4-hydroxy-5-methoxybenzoate;1205-50-1;EINECS 214-884-2;SCHEMBL1586741;3-Chloro-4-hydroxy-5-methoxy-benzoic acid methyl ester;DTXSID10152882;3-Chloro-4-hydroxy-5-methoxybenzoic acid methyl ester

Chemical Property of Methyl 3-chloro-4-hydroxy-5-methoxybenzoate

Chemical Property:

• Vapor Pressure: 0.000176mmHg at 25°C
• Boiling Point: 319.9°Cat760mmHg
• Flash Point: 147.3°C
• PSA: 55.76000
• Density: 1.339g/cm³
• LogP: 1.84080
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 216.0189365
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-chloro-4-hydroxy-5-methoxybenzoate

There total 4 articles about Methyl 3-chloro-4-hydroxy-5-methoxybenzoate 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:

3-chloro-4-hydroxy-5-methoxybenzoic acid (62936-23-6) → 3-chloro-4-hydroxy-5-methoxybenzoic acid methyl ester (1205-50-1)

Guidance literature:

DOI:10.1021/ja01171a086

Reference yield:

3-chloro-4-hydroxy-5-methoxybenzoic acid (62936-23-6) → 3-Chloro-5-methoxy-442-(4-methyl-piperazin-1-yl)-ethoxy]-benzoic acid + 3-chloro-4-hydroxy-5-methoxybenzoic acid methyl ester (1205-50-1)

Guidance literature:

With hydrogenchloride; In methanol; water;

Reference yield:

methanol (67-56-1) + 3-chloro-4-hydroxy-5-methoxybenzoic acid (62936-23-6) → 3-chloro-4-hydroxy-5-methoxybenzoic acid methyl ester (1205-50-1)

Guidance literature:

With chloro-trimethyl-silane; at 50 ℃; for 16h;

DOI:10.1016/j.bmc.2017.12.015

upstream raw materials:

3-chloro-4-hydroxy-5-methoxybenzoic acid

methanol

Downstream raw materials:

3-Chloro-4-hexyloxy-5-methoxy-benzoic acid methyl ester

3-Chloro-4-hexyloxy-5-methoxy-benzoyl chloride

3-Chloro-4-hexyloxy-5-methoxy-benzoic acid

3-Chloro-4-hexyloxy-5-methoxy-benzoic acid 4-chloro-butyl ester

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