trans-1-(Bromoethyl)-4-pentylcyclohexane

Base Information

• Chemical Name: trans-1-(Bromoethyl)-4-pentylcyclohexane
• CAS No.: 71458-14-5
• Molecular Formula: C13H25Br
• Molecular Weight: 247.219
• Hs Code.: 2903890090
• DSSTox Substance ID: DTXSID70568445
• Mol file: 71458-14-5.mol

Synonyms:TRANS-1-(BROMOETHYL)-4-PENTYLCYCLOHEXANE;71458-14-5;1-(2-bromoethyl)-4-pentylcyclohexane;SCHEMBL6748514;SCHEMBL8014247;DTXSID70568445;WRDKWELHUVNKSI-JOCQHMNTSA-N;WRDKWELHUVNKSI-UHFFFAOYSA-N;2-(4-n-pentylcyclohexyl)bromoethane;AKOS015917578;1-bromo-2-(trans-4-pentylcyclohexyl)ethane;trans-1-(2-bromoethyl)-4-n-pentylcyclohexane

Chemical Property of trans-1-(Bromoethyl)-4-pentylcyclohexane

Chemical Property:

• Boiling Point: 271.0±8.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.085±0.06 g/cm3(Predicted)
• LogP: 4.76800
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 260.11396
• Heavy Atom Count: 14
• Complexity: 125

Purity/Quality:

98% or more ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CCC(CC1)CCBr

Technology Process of trans-1-(Bromoethyl)-4-pentylcyclohexane

There total 7 articles about trans-1-(Bromoethyl)-4-pentylcyclohexane 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: 76.0%

trans-4-pentylcyclohexanecarboxamide (71458-08-7) → trans-4-bromomethyl-1-n-pentylcyclohexane (71458-14-5)

Guidance literature:

With sulfuric acid; hydrogen bromide;

Reference yield:

4-trans-pentylcyclohexane-1-carboxylic acid (38289-29-1,38792-89-1,67589-84-8) → trans-4-bromomethyl-1-n-pentylcyclohexane (71458-14-5)

Guidance literature:

Reference yield:

trans-4-pentylcyclohexane-1-carboxylic acid chloride (67589-90-6) → trans-4-bromomethyl-1-n-pentylcyclohexane (71458-14-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / LiAlH₄ / diethyl ether

2: 76 percent / HBr, aq/H₂SO₄

With lithium aluminium tetrahydride; sulfuric acid; hydrogen bromide; In diethyl ether;

upstream raw materials:

trans-(4-pentylcyclohexane)-methanol

4-trans-pentylcyclohexane-1-carboxylic acid

trans-4-pentylcyclohexanecarboxamide

trans-4-pentylcyclohexane-1-carboxylic acid chloride

Downstream raw materials:

1-Methyl-4-((R)-4-pentyl-cyclohexylmethanesulfinyl)-benzene

4-<(trans-4-pentylcyclohexyl)methoxy>phenol

(trans-4-pentylcyclohexyl)acetyl chloride

(trans-4-pentylcyclohexyl)acetic acid

Refernces

• 1、 Solladie, Guy,Zimmermann, Richard,Bartsch, Richard,Walborsky, Harry M.. "Chiral Sulfoxides in Asymmetric Synthesis: A New Chiral Synthesis of Optically Active 4-Substituted Cyclohexylideneacetic Acid Esters". . p. 662 - 665. Retrieved 2007/10/02.
• 2、 Kelly, Stephen M.,Schad, Hanspeter. "The Synthesis and Liquid-Crystal Transition Temperatures of Some Fluoro-Substituted Benzonitriles". . p. 1444 - 1452. Retrieved 2007/10/02.