2,4,4,4-Tetrachlorobutan-1-ol

Base Information

• Chemical Name: 2,4,4,4-Tetrachlorobutan-1-ol
• CAS No.: 3290-70-8
• Molecular Formula: C4H6 Cl4 O
• Molecular Weight: 211.903
• European Community (EC) Number: 221-949-9
• UNII: D4778G8CNQ
• DSSTox Substance ID: DTXSID8052013
• Nikkaji Number: J262.393E
• Wikidata: Q27276082
• Mol file: 3290-70-8.mol

Synonyms:2,4,4,4-Tetrachlorobutan-1-ol;3290-70-8;2,4,4,4-Tetrachlorobutanol;2,4,4,4-TETRACHLORO-1-BUTANOL;1-Butanol, 2,4,4,4-tetrachloro-;Butanol, 2,4,4,4-tetrachloro-;UNII-D4778G8CNQ;D4778G8CNQ;HSDB 6144;EINECS 221-949-9;C4H6Cl4O;C4-H6-Cl4-O;SCHEMBL6236212;DTXSID8052013;2,4,4,4-TETRACHLORO-1-BUTANOL [HSDB];Q27276082

Chemical Property of 2,4,4,4-Tetrachlorobutan-1-ol

Chemical Property:

• Vapor Pressure: 0.00144mmHg at 25°C
• Boiling Point: 263.6°Cat760mmHg
• Flash Point: 113.2°C
• PSA: 20.23000
• Density: 1.535g/cm³
• LogP: 2.34640
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 211.914325
• Heavy Atom Count: 9
• Complexity: 79.1

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Alcohols
• Canonical SMILES: C(C(CO)Cl)C(Cl)(Cl)Cl

Technology Process of 2,4,4,4-Tetrachlorobutan-1-ol

There total 6 articles about 2,4,4,4-Tetrachlorobutan-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: 69.0%

tetrachloromethane (56-23-5) + allyl alcohol (107-18-6) → 2,4,4,4-tetrachlorobutanol (3290-70-8)

Guidance literature:

With diethylamine; copper(II) oxide; at 140 ℃; for 6h;

Reference yield: 18.0%

tetrachloromethane (56-23-5) + allyl alcohol (107-18-6) → 2,4,4,4-tetrachlorobutanol (3290-70-8) + 4,4,4-trichlorobutan-1-ol (64536-07-8)

Guidance literature:

With di-tert-butyl phosphite; dibenzoyl peroxide; In cyclohexane; at 80 ℃;

DOI:10.1055/s-2001-18086

Reference yield:

tetrachloromethane (56-23-5) + allyl alcohol (107-18-6) → 2,4,4,4-tetrachlorobutanol (3290-70-8) + 2,4,4,6-tetrachloro-heptane-1,7-diol (34909-89-2)

Guidance literature:

With diethyl amine hydrochloride; 2-hydroxy-2-phenylacetophenone; CuCl₂*2H₂O; In acetonitrile;

DOI:10.1021/jo00981a028

upstream raw materials:

Trichloromethanesulfonyl chloride

allyl alcohol

tetrachloromethane

Allyl acetate

Downstream raw materials:

acrylate de tetrachloro-2,4,4,4 butyle

2-(2,2,2-trichloroethyl)oxirane

Refernces

• 1、 Barks,Gilbert,Parsons,Upeandran. "Addition of trichloromethyl radicals to alkenes: The use of phosphites as hydrogen-atom donors in intermolecular radical reactions". . p. 1719 - 1722. Retrieved 2007/10/03.