4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol

Base Information

• Chemical Name: 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol
• CAS No.: 13630-61-0
• Molecular Formula: C8H9 Cl3 O
• Molecular Weight: 227.518
• Hs Code.: 2906199090
• NSC Number: 202024
• DSSTox Substance ID: DTXSID50308088
• Nikkaji Number: J109.072K
• Mol file: 13630-61-0.mol

Synonyms:13630-61-0;4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol;3-(2,2-Dichlorophenyl)-2,2-dimethylcyclopropanecarbonyl chloride (control hydrochloride);NSC202024;2,5-Cyclohexadien-1-ol,4-methyl-4-(trichloromethyl)-;DTXSID50308088;NSC-202024

Chemical Property of 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol

Chemical Property:

• Vapor Pressure: 0.000209mmHg at 25°C
• Boiling Point: 291.5°Cat760mmHg
• Flash Point: 130.1°C
• PSA: 20.23000
• Density: 1.427g/cm³
• LogP: 2.84980
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 225.971898
• Heavy Atom Count: 12
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=CC(C=C1)O)C(Cl)(Cl)Cl

Technology Process of 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol

There total 2 articles about 4-Methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-ol 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-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one (3274-12-2) → 4-methyl-4-trichloromethyl-cyclohexa-2,5-dienol (13630-61-0)

Guidance literature:

With aluminum isopropoxide; isopropyl alcohol; at 120 ℃;

DOI:10.1080/01431160119174

Reference yield:

→ 4-methyl-4-trichloromethyl-cyclohexa-2,5-dienol (13630-61-0)

Guidance literature:

DOI:10.1021/ja00472a028 DOI:10.1016/S0040-4039(01)87346-9

Reference yield:

4-methyl-4-trichloromethyl-cyclohexa-2,5-dienol (13630-61-0) → 1-methyl-2-trichloromethyl-benzene (3335-33-9)

Guidance literature:

With phosphorus pentoxide; benzene; at 115 ℃;

upstream raw materials:

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

Downstream raw materials:

ortho-methylbenzoic acid

1-methyl-2-trichloromethyl-benzene

1-Chlor-4-methyl-4-trichlormethyl-cyclohexadien-(2,5)

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