5-Chloro-3-methylcatechol

Base Information

• Chemical Name: 5-Chloro-3-methylcatechol
• CAS No.: 31934-88-0
• Molecular Formula: C₇H₇ClO₂
• Molecular Weight: 158.584
• European Community (EC) Number: 881-794-3
• DSSTox Substance ID: DTXSID20185767
• Nikkaji Number: J1.601.545H
• Wikidata: Q27103610
• Metabolomics Workbench ID: 51659
• Mol file: 31934-88-0.mol

Synonyms:5-chloro-3-methylcatechol

Chemical Property of 5-Chloro-3-methylcatechol

Chemical Property:

• Vapor Pressure: 0.00237mmHg at 25°C
• Boiling Point: 279.4°Cat760mmHg
• Flash Point: 122.8°C
• Density: 1.384g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 158.0134572
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)O)Cl

Technology Process of 5-Chloro-3-methylcatechol

There total 7 articles about 5-Chloro-3-methylcatechol 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: 99.0%

2-methyl-4-chlorophenol (1570-64-5) → 5-chloro-1,2-dihydroxy-3-methylbenzene (31934-88-0)

Guidance literature:

With Agaricus bisporus tyrosinase; oxygen; ascorbic acid; In water; at 20 ℃; for 24h; pH=7; Na-phosphate buffer; Enzymatic reaction;

DOI:10.1016/j.bmc.2011.11.018

Reference yield:

3-chloro-6-hydroxy-5-methyl-6-nitryloxy-cyclohexa-2,4-dienone → 5-chloro-1,2-dihydroxy-3-methylbenzene (31934-88-0)

Guidance literature:

With tin(ll) chloride;

Reference yield:

4,6-dichloro-2-methylphenol (1570-65-6) → 5-chloro-1,2-dihydroxy-3-methylbenzene (31934-88-0)

Guidance literature:

Multi-step reaction with 3 steps

1: nitric acid

2: tetrachloroethane

3: tin dichloride solution

With nitric acid; tin(ll) chloride; 1,1,2,2-tetrachloroethane;

upstream raw materials:

4,6-dichloro-2-methylphenol

ortho-cresol

2-methyl-4-chlorophenol

Downstream raw materials:

3-methyl-5-chloro-1,2-dimethoxybenzene

2-Methyl-4-carboxymethylenbut-2-en-4-olide