1-Bromo-2-methylcyclohexane

Base Information

• Chemical Name: 1-Bromo-2-methylcyclohexane
• CAS No.: 6294-39-9
• Molecular Formula: C7H13 Br
• Molecular Weight: 177.084
• Hs Code.: 2903890090
• European Community (EC) Number: 228-558-2
• NSC Number: 9387
• DSSTox Substance ID: DTXSID60884247
• Nikkaji Number: J102.573B
• Mol file: 6294-39-9.mol

Synonyms:1-Bromo-2-methylcyclohexane;6294-39-9;o-Methylcyclohexyl bromide;Cyclohexane, 1-bromo-2-methyl-;NSC 9387;EINECS 228-558-2;NSC9387;1-Bromo-2-methylcyclohexane #;SCHEMBL3497810;DTXSID60884247;NSC-9387;AKOS009306979;CS-0223260;EN300-114541

Chemical Property of 1-Bromo-2-methylcyclohexane

Chemical Property:

• Boiling Point: 54-56 °C(Press: 12 Torr)
• PSA: 0.00000
• Density: 1.29g/cm³
• LogP: 2.96000
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 176.02006
• Heavy Atom Count: 8
• Complexity: 70.8

Purity/Quality:

99% ^*data from raw suppliers

1-BROMO-2-METHYLCYCLOHEXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCC1Br

Technology Process of 1-Bromo-2-methylcyclohexane

There total 9 articles about 1-Bromo-2-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:

1-methylcyclohex-1-ene (591-49-1) → 1-bromo-1-methylcyclohexane (931-77-1) + 1-bromo-2-methylcyclohexane (6294-39-9)

Guidance literature:

With hydrogen bromide; pentane; dibenzoyl peroxide;

DOI:10.1021/ja01134a035

Reference yield:

bicyclo[4.1.0]heptane (286-08-8) → 1-bromo-2-(bromomethyl)cyclohexane (52428-01-0) + 1-bromo-2-methylcyclohexane (6294-39-9) + 2,3-dibromo-1-methylcyclohexane (31061-99-1,31062-00-7,103002-43-3) + trans-1,2-dibromocycloheptane (29974-68-3,52021-35-9)

Guidance literature:

With bromine; In tetrachloromethane; at 20 ℃; for 0.333333h; Yield given. Further byproducts given. Yields of byproduct given; Irradiation;

Reference yield:

bicyclo[4.1.0]heptane (286-08-8) → 1-bromo-2-(bromomethyl)cyclohexane (52428-01-0) + 1-bromo-2-methylcyclohexane (6294-39-9) + 2,3-dibromo-1-methylcyclohexane (31061-99-1,31062-00-7,103002-43-3) + Cyclohexylmethyl bromide (2550-36-9)

Guidance literature:

With bromine; In tetrachloromethane; at 20 ℃; for 0.333333h; Yield given. Further byproducts given. Yields of byproduct given; Irradiation;

upstream raw materials:

1-methylcyclohex-1-ene

2-Methylcyclohexanol

bicyclo[4.1.0]heptane

Bromotrichloromethane

Downstream raw materials:

N-phenyl-2-methylcyclohexylamine

Ethyl α-cyano-2-methylcyclohexaneacetate

2-Phenoxy-1-methyl-cyclohexan

2-Methylcyclohexanone