1,1,1-Trichloro-2-octyn-2-ol

Base Information

• Chemical Name: 1,1,1-Trichloro-2-octyn-2-ol
• CAS No.: 57212-17-6
• Molecular Formula: C8H11Cl3O
• Molecular Weight: 229.5313
• DSSTox Substance ID: DTXSID30972665
• Nikkaji Number: J2.064.536I

Synonyms:BRN 1933550;1,1,1-Trichloro-2-octyn-2-ol;2-Octyn-2-ol, 1,1,1-trichloro-;57212-17-6;1,1,1-trichlorooct-3-yn-2-ol;C8H11Cl3O;C8-H11-Cl3-O;DTXSID30972665;8,8,8-Trichloro-5-octyne-7-ol;LS-98171

Chemical Property of 1,1,1-Trichloro-2-octyn-2-ol

Chemical Property:

• Vapor Pressure: 0.000912mmHg at 25°C
• Boiling Point: 270.3°Cat760mmHg
• Flash Point: 117.2°C
• Density: 1.304g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 227.987548
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC#CC(C(Cl)(Cl)Cl)O

Technology Process of 1,1,1-Trichloro-2-octyn-2-ol

There total 3 articles about 1,1,1-Trichloro-2-octyn-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:

1-(trimethylsilyl)-1-hexyne (3844-94-8) → 1,1,1-Trichlor-3-octin-2-ol (57212-17-6)

Guidance literature:

Multi-step reaction with 2 steps

1: GaCl₃ / 18 h / 100 - 110 °C

2: methanol / 1 h / Heating

With gallium(III) trichloride; In methanol;

Reference yield:

trimethyl-(1-trichloromethyl-hept-2-ynyloxy)-silane (57212-16-5) → 1,1,1-Trichlor-3-octin-2-ol (57212-17-6)

Guidance literature:

With methanol;

DOI:10.1016/S0022-328X(00)94143-3

Reference yield:

chloral (75-87-6) + hex-1-yne (693-02-7) → 1,1,1-Trichlor-3-octin-2-ol (57212-17-6)

Guidance literature:

With ethylmagnesium bromide; Yield given. Multistep reaction; ether, 1.) reflux, 1 h, 2.) reflux, 1.5 h;

upstream raw materials:

trimethyl-(1-trichloromethyl-hept-2-ynyloxy)-silane

chloral

hex-1-yne

1-(trimethylsilyl)-1-hexyne

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