3-(5-Chloropent-1-en-2-yl)-2-methylcyclohexan-1-one

Base Information

Chemical Name:3-(5-Chloropent-1-en-2-yl)-2-methylcyclohexan-1-one
CAS No.:92490-57-8
Molecular Formula:C12H19ClO
Molecular Weight:214.735
Hs Code.:
DSSTox Substance ID:DTXSID00537184

Synonyms:92490-57-8;3-(5-Chloropent-1-en-2-yl)-2-methylcyclohexan-1-one;DTXSID00537184

Suppliers and Price of 3-(5-Chloropent-1-en-2-yl)-2-methylcyclohexan-1-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-(5-Chloropent-1-en-2-yl)-2-methylcyclohexan-1-one

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:214.1124429
Heavy Atom Count:14
Complexity:222

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(CCCC1=O)C(=C)CCCCl

Technology Process of 3-(5-Chloropent-1-en-2-yl)-2-methylcyclohexan-1-one

There total 2 articles about 3-(5-Chloropent-1-en-2-yl)-2-methylcyclohexan-1-one 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: 56.0%

: 1121-18-2
2-methyl-2-cyclohexen-1-one

: 106536-94-1
2-(5-chloro-1-pentenyl)magnesium bromide

: 92490-57-8
3-<2-(5-chloro-1-pentenyl)>-2-methylcyclohexanone

Guidance literature:: With copper(I) bromide dimethylsulfide complex; boron trifluoride diethyl etherate; In tetrahydrofuran; at -78 ℃; for 3h;

Reference yield:

: 89045-21-6
5-chloro-2-(trimethylstannyl)-1-pentene

: 92490-57-8
3-<2-(5-chloro-1-pentenyl)>-2-methylcyclohexanone

Guidance literature:: Multi-step reaction with 2 steps

1: MeLi / tetrahydrofuran / 0.25 h / -78 °C

2: 1)n-Bu₃P / 1)CuBr*Me₂S / 1)THF, -78 deg C, 20 min 2)-78 deg C, 1h, then -40 deg C, 2 h

With tributylphosphine; methyllithium; copper(I) bromide dimethylsulfide complex; In tetrahydrofuran;
DOI:10.1021/jo00197a060