2-Hexanol, 6-chloro-

Base Information

• Chemical Name: 2-Hexanol, 6-chloro-
• CAS No.: 18804-33-6
• Molecular Formula: C6H13ClO
• Molecular Weight: 136.622
• DSSTox Substance ID: DTXSID50399032
• Mol file: 18804-33-6.mol

Synonyms:2-Hexanol, 6-chloro-;18804-33-6;6chloro-2-hexanol;1-chlorohexan-5-ol;SCHEMBL1460582;DTXSID50399032;LDIPECSHAACCTQ-UHFFFAOYSA-N;AKOS006387769;FT-0774433;J-009156

Chemical Property of 2-Hexanol, 6-chloro-

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 136.0654927
• Heavy Atom Count: 8
• Complexity: 47.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCCCl)O

Technology Process of 2-Hexanol, 6-chloro-

There total 1 articles about 2-Hexanol, 6-chloro- 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: 40.0%

6-chlorohexene (928-89-2) → 6-chloro-2-hexanone (10226-30-9) + 6-chloro-2-hexanol (18804-33-6)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); 1-hydroxytetraphenyl-cyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); water; p-benzoquinone; In methanol; isopropyl alcohol; at 85 ℃; for 48h; regioselective reaction; Inert atmosphere; Glovebox;

DOI:10.1039/c3cc48810a

Reference yield: 89.0%

6-chloro-2-hexanol (18804-33-6) → 6-chloro-2-hexanone (10226-30-9)

Guidance literature:

With 2-iodoxybenzoic acid; 10-camphorsufonic acid; In 1,4-dioxane; dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2021.153298

Reference yield:

6-chloro-2-hexanol (18804-33-6) → n-hexan-2-one (591-78-6)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridinium chlorochromate

2: NaI / acetone

3: 23 percent Chromat_. / t-BuLi / diethyl ether / -78 °C / Var_.: n-BuLi, THF, -100 deg C

With tert.-butyl lithium; pyridinium chlorochromate; sodium iodide; In diethyl ether; acetone;

DOI:10.1016/S0040-4039(01)80833-9

upstream raw materials:

6-chlorohexene

Downstream raw materials:

6-chloro-2-hexanone

n-hexan-2-one

1-methylcyclopentanol

Refernces