2,4-Dichloro-6-methylphenol

Base Information

• Chemical Name: 2,4-Dichloro-6-methylphenol
• CAS No.: 1570-65-6
• Molecular Formula: C7H6Cl2O
• Molecular Weight: 177.03
• Hs Code.: 2908199090
• European Community (EC) Number: 216-382-9
• NSC Number: 21469
• UNII: VXP4NLY3F9
• DSSTox Substance ID: DTXSID5061790
• Nikkaji Number: J28.702D
• Wikidata: Q63395600
• ChEMBL ID: CHEMBL3988681
• Mol file: 1570-65-6.mol

Synonyms:2,4-dichloro-6-methylphenol

Chemical Property of 2,4-Dichloro-6-methylphenol

Chemical Property:

• Vapor Pressure: 0.00524mmHg at 25°C
• Melting Point: 53 °C
• Refractive Index: 1.582
• Boiling Point: 266.5 °C at 760 mmHg
• PKA: 8.41±0.23(Predicted)
• Flash Point: 107.9 °C
• PSA: 20.23000
• Density: 1.382 g/cm³
• LogP: 3.00740
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 175.9795702
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dichloro-6-methylphenol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dichloro-6-methylphenol

There total 20 articles about 2,4-Dichloro-6-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: 25.8%

isopropylmagnesium bromide (920-39-8) + 6-acetoxy-2,4-dichloro-6-methylcyclohexa-2,4-dien-1-one (95717-56-9) → 4,6-dichloro-2-methylphenol (1570-65-6) + 2,4-dichloro-3-isopropyl-6-methylphenol (60741-51-7) + 2,4-dichloro-6-methylphenyl isopropyl ether (95717-63-8)

Guidance literature:

In diethyl ether; for 18h; Ambient temperature;

DOI:10.1021/jo00352a009

Reference yield:

MCPA (94-74-6) → 4,6-dichloro-2-methylphenol (1570-65-6) + 2-methyl-4-chlorophenol (1570-64-5) + 4-ethoxy-3-methylphenol (1216257-46-3) + 2-methylbenzene-1,4-diol (95-71-6,96937-50-7) + 2-Methyl-1,4-benzoquinone (553-97-9) + ortho-cresol (95-48-7,77504-84-8)

Guidance literature:

With water; at 20 ℃; Irradiation;

DOI:10.1134/S1070427209030100

Reference yield:

MCPA (94-74-6) → 4,6-dichloro-2-methylphenol (1570-65-6) + 2-methyl-4-chlorophenol (1570-64-5) + 2-methylbenzene-1,4-diol (95-71-6,96937-50-7) + 2-methylbenzene-1,3-diol (608-25-3) + 2,5-dihydroxy-3-methylbenzoaldehyde (108372-60-7) + 2-Methyl-1,4-benzoquinone (553-97-9) + ortho-cresol (95-48-7,77504-84-8) + 3-methylbenzene-1,2-diol (488-17-5) + 2-chloro-6-methylphenol (87-64-9) + 5-chloro-7-methyl-3H-benzofuran-2-one

Guidance literature:

With water; UV-irradiation;

DOI:10.1016/j.jphotochem.2011.11.004

upstream raw materials:

6-hydroxy-toluene-3-sulfonic acid

ortho-cresol

2-chloro-6-methylphenol

isopropylmagnesium bromide

Downstream raw materials:

2-(2,4-dichloro-6-methyl-phenoxymethyl)-5-methoxy-pyran-4-one

malonic acid bis-(2,4-dichloro-6-methyl-phenyl ester)

2-chloro-6-methyl-[1,4]benzoquinone

2,3,5-trichloro-6-methyl-1,4-benzoquinone