2-Chloro-3-methylphenol

Base Information

• Chemical Name: 2-Chloro-3-methylphenol
• CAS No.: 608-26-4
• Molecular Formula: C7H7ClO
• Molecular Weight: 142.585
• Hs Code.: 2908199090
• European Community (EC) Number: 210-156-3
• UNII: XZT2VD3JL6
• DSSTox Substance ID: DTXSID90209641
• Nikkaji Number: J95.368G
• Wikipedia: 2-Chloro-m-cresol
• Wikidata: Q4596872
• ChEMBL ID: CHEMBL3236921
• Mol file: 608-26-4.mol

Synonyms:2-chloro-3-methylphenol;608-26-4;2-Chloro-m-cresol;m-Cresol, 2-chloro-;EINECS 210-156-3;XZT2VD3JL6;Phenol, 2-chloro-3-methyl-;Phenol, chloro-3-methyl-;2-chloro-3-methyl-phenol;Chlormetakresol;o-chloro-m-cresol;UNII-XZT2VD3JL6;SCHEMBL546021;CHEMBL3236921;DTXSID90209641;CL9093;MFCD00036178;AKOS006273485;MB00390;AS-46206;EN300-123562;Q4596872;Z1198147985

Chemical Property of 2-Chloro-3-methylphenol

Chemical Property:

• Vapor Pressure: 0.0446mmHg at 25°C
• Melting Point: 56℃
• Refractive Index: 1.565
• Boiling Point: 230 °C at 760 mmHg
• PKA: 8.60±0.10(Predicted)
• Flash Point: 78.1 °C
• PSA: 20.23000
• Density: 1.228 g/cm³
• LogP: 2.35400
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 142.0185425
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%, ^*data from raw suppliers

2-Chloro-m-cresol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)O)Cl
• Uses: 2-Chloro-m-cresol is a derivative of m-cresol (C781915) which is one of the components that make up liquid rice hull smoke, and may contribute to its anti-inflammatory effects in mice.

Technology Process of 2-Chloro-3-methylphenol

There total 16 articles about 2-Chloro-3-methylphenol 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: 80.0%

1-bromo-2-chloro-3-methyl-benzene (97329-43-6) → 2-chloro-m-cresol (608-26-4)

Guidance literature:

1-bromo-2-chloro-3-methyl-benzene; With potassium hydroxide; In 1,4-dioxane; water; for 0.25h; Inert atmosphere;

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tert-butyl XPhos; In 1,4-dioxane; water; at 100 ℃; for 0.583333h; Temperature; Sealed tube; Inert atmosphere;

Reference yield: 50.0%

3-methyl-phenol (108-39-4) → 4-Chloro-3-methylphenol (59-50-7) + 2-chloro-5-methylphenol (615-74-7) + 2-chloro-m-cresol (608-26-4)

Guidance literature:

With NHCl₂; In water; pH=6.0; Further Variations:; Reagents; pH-values; Product distribution;

DOI:10.1021/es030644h

Reference yield: 32.1%

3-methyl-phenol (108-39-4) → 4-Chloro-3-methylphenol (59-50-7) + 2-chloro-5-methylphenol (615-74-7) + 3-methyl-2,6-dichlorophenol (13481-70-4) + 2-chloro-m-cresol (608-26-4)

Guidance literature:

With chloroamine; In water; pH=9.0; Further Variations:; Reagents; pH-values; Product distribution;

DOI:10.1021/es030644h

upstream raw materials:

2-amino-3-methylphenol

5-hydroxy-toluene-2,4-disulfonic acid

2-chloro-1-methoxy-3-methylbenzene

tert-butylhypochlorite

Downstream raw materials:

3-methyl-2,6-dichlorophenol

2,4-dichloro-3-methylphenol

4-bromo-2-chloro-3-methylphenol

1-(2-(2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenoxy)ethyl)-4-methylpiperazine

Refernces

• 1、 -. "NEW PROCESS FOR THE SYNTHESIS OF PIPERAZINYL-ETHOXY-BROMOPHENYL DERIVATES AND THEIR APPLICATION IN THE PRODUCTION OF COMPOUNDS CONTAINING THEM". Page/Page column 23-26. . Retrieved 2020/05/21.
• 2、 Munday, Samuel D.,Dezvarei, Shaghayegh,Lau, Ian C.-K.,Bell, Stephen G.. "Examination of Selectivity in the Oxidation of ortho- and meta-Disubstituted Benzenes by CYP102A1 (P450 Bm3) Variants". . p. 2512 - 2522. Retrieved 2017/07/12.