1-(Bromomethyl)-4-methylcyclohexane

Base Information

• Chemical Name: 1-(Bromomethyl)-4-methylcyclohexane
• CAS No.: 78507-26-3
• Molecular Formula: C8H15Br
• Molecular Weight: 191.111
• European Community (EC) Number: 821-905-4
• DSSTox Substance ID: DTXSID90541391
• Mol file: 78507-26-3.mol

Synonyms:1-(Bromomethyl)-4-methylcyclohexane;21857-32-9;78507-26-3;trans-1-(bromomethyl)-4-methylcyclohexane;cis-4-methylcyclohexylmethyl bromide;78507-33-2;MFCD16657517;cis-1-(bromomethyl)-4-methyl-cyclohexane;(1r,4r)-1-(bromomethyl)-4-methylcyclohexane;1-Bromomethyl-4-methylcyclohexane;TRANS-4-METHYLCYCLOHEXYLMETHYL BROMIDE;SCHEMBL740013;SCHEMBL8796813;4-Methylcyclohexylmethyl bromide;SCHEMBL15043433;1'-Brom-1.4-dimethylcyclohexan;DTXSID90541391;CGJQBQWGDRNEDA-UHFFFAOYSA-N;CGJQBQWGDRNEDA-ZKCHVHJHSA-N;WAA85732;AKOS014315818;AB86527;AT33351;AT33352;AM806102;AS-62375;SY026798;CS-0038987;(1s,4s)-1-(bromomethyl)-4-methylcyclohexane;EN300-132260;EN300-7348055;A878908

Chemical Property of 1-(Bromomethyl)-4-methylcyclohexane

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 190.03571
• Heavy Atom Count: 9
• Complexity: 72.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(CC1)CBr

Technology Process of 1-(Bromomethyl)-4-methylcyclohexane

There total 8 articles about 1-(Bromomethyl)-4-methylcyclohexane 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: 99.0%

(trans-4-methylcyclohexyl)methanol (3937-49-3) → trans-1-(bromomethyl)-4-methylcyclohexane (78507-26-3)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/acs.jmedchem.1c01524

Reference yield:

(4-methylcyclohexyl)methanol (34885-03-5) → trans-1-(bromomethyl)-4-methylcyclohexane (78507-26-3) + cis-4-methylcyclohexylmethyl bromide (78507-33-2)

Guidance literature:

Multistep reaction;

DOI:10.1039/P29860001337

Reference yield:

trans-4-methylcyclohexanecarboxylic acid (934-67-8,4331-54-8,13064-83-0) → trans-1-(bromomethyl)-4-methylcyclohexane (78507-26-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 100 percent / SOCl₂

2: 91 percent / LiAlH₄ / diethyl ether

3: 76 percent / HBr, aq/H₂SO₄

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

upstream raw materials:

(trans-4-methylcyclohexyl)methanol

(4-methylcyclohexyl)methanol

4-(bromomethyl)cyclohexylmethanol

trans-4-methylcyclohexanecarboxylic acid

Downstream raw materials:

trans-4-methylcyclohexylmethyl cyanide

1-Methyl-4-((S)-4-methyl-cyclohexylmethanesulfinyl)-benzene

C₈H₁₅

(trans-4-methyl-cyclohexyl)-acetic acid