1,1,1-Trichloro-4-methylpent-4-en-2-ol

Base Information

• Chemical Name: 1,1,1-Trichloro-4-methylpent-4-en-2-ol
• CAS No.: 25308-82-1
• Molecular Formula: C6H9 Cl3 O
• Molecular Weight: 203.496
• Hs Code.: 2905590090
• European Community (EC) Number: 246-808-9
• DSSTox Substance ID: DTXSID90948149
• Nikkaji Number: J25.063E
• Mol file: 25308-82-1.mol

Synonyms:1,1,1-Trichloro-4-methylpent-4-en-2-ol;25308-82-1;1,1,1-Trichloro-4-methyl-4-penten-2-ol;EINECS 246-808-9;1,1,1-trichloro-2-hydroxy-4-methyl-4-pentene;SCHEMBL2961657;DTXSID90948149;4-methyl-1,1,1-trichloro-4-penten-2-ol;LS-192269;1,1,1-trichloro-4-methyl-4-pentene-2-ol;4-Penten-2-ol, 1,1,1-trichloro-4-methyl-;1,1,1-trichloro-2-hydroxy-4-methylpent-4-ene

Chemical Property of 1,1,1-Trichloro-4-methylpent-4-en-2-ol

Chemical Property:

• Vapor Pressure: 0.0063mmHg at 25°C
• Boiling Point: 241.2°Cat760mmHg
• Flash Point: 99.6°C
• PSA: 20.23000
• Density: 1.316g/cm³
• LogP: 2.68370
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 201.971898
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1-Trichloro-4-methylpent-4-en-2-ol

There total 6 articles about 1,1,1-Trichloro-4-methylpent-4-en-2-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: 97.0%

chloral (75-87-6) + isobutene (115-11-7,15220-85-6) → 1,1,1-trichloro-4-methyl-4-penten-2-ol (25308-82-1)

Guidance literature:

With iron(III) chloride; trifluoroacetic acid; In dichloromethane; at -12 - 20 ℃;

DOI:10.1021/ja910631u

Reference yield: 85.0%

isobutene (115-11-7,15220-85-6) → 1,1,1-trichloro-4-methyl-4-penten-2-ol (25308-82-1)

Guidance literature:

In water; tin(IV) chloride; Petroleum ether;

Reference yield: 64.0%

→ 1,1,1-trichloro-4-methyl-4-penten-2-ol (25308-82-1)

Guidance literature:

upstream raw materials:

chloral

isobutene

aluminium trichloride

hexane

Downstream raw materials:

4-Methyl-2-o-tolyloxy-pent-4-enoic acid methyl ester

4-Methyl-2-phenoxy-pent-4-enoic acid methyl ester

1,1,1-trichloro-4-methyl-2-acetoxy-4-pentene

cis-2-Dichlormethyl-4-ethoxy-4-methyl-tetrahydrofuran