1-Bromo-1-ethylcyclohexane

Base Information

• Chemical Name: 1-Bromo-1-ethylcyclohexane
• CAS No.: 931-95-3
• Molecular Formula: C8H15Br
• Molecular Weight: 191.111
• DSSTox Substance ID: DTXSID60507702
• Wikidata: Q82364077
• Mol file: 931-95-3.mol

Synonyms:1-Bromo-1-ethylcyclohexane;931-95-3;SCHEMBL6037125;DTXSID60507702

Chemical Property of 1-Bromo-1-ethylcyclohexane

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 190.03571
• Heavy Atom Count: 9
• Complexity: 82.6

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CCCCC1)Br

Technology Process of 1-Bromo-1-ethylcyclohexane

There total 2 articles about 1-Bromo-1-ethylcyclohexane 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: 84.0%

ethylidenecyclohexane (1003-64-1) → 1-bromo-1-ethylcyclohexane (931-95-3)

Guidance literature:

With hydrogen bromide; silica gel; In water; at 0 - 20 ℃; for 48h; Reagent/catalyst;

DOI:10.1016/j.tetlet.2018.10.043

Reference yield:

→ 1-bromo-1-ethylcyclohexane (931-95-3)

Guidance literature:

Ethyliden-cyclohexan, HBr (1Mol), Eg., 10grad;

Reference yield:

1-bromo-1-ethylcyclohexane (931-95-3) → ethyl-cyclohexane (1678-91-7)

Guidance literature:

With n-butyllithium; B-n-butyl-9-borabicyclo<3.3.1>nonane; Yield given. Multistep reaction; 1.) hexane, RT, 1 h; 2.) hexane, 20 deg C, 3 h;

DOI:10.1016/S0040-4020(01)97982-7

upstream raw materials:

ethylidenecyclohexane

Downstream raw materials:

ethyl-cyclohexane