1-BROMO-3-METHYLCYCLOHEXANE

Base Information

• Chemical Name: 1-BROMO-3-METHYLCYCLOHEXANE
• CAS No.: 13905-48-1
• Molecular Formula: C7H13 Br
• Molecular Weight: 177.084
• Hs Code.: 2903890090
• European Community (EC) Number: 237-675-8
• NSC Number: 9390
• DSSTox Substance ID: DTXSID90871226
• Nikkaji Number: J102.574K
• Mol file: 13905-48-1.mol

Synonyms:3-Methylcyclohexylbromide; NSC 9390

Chemical Property of 1-BROMO-3-METHYLCYCLOHEXANE

Chemical Property:

• Vapor Pressure: 1.18mmHg at 25°C
• Refractive Index: 1.4979
• Boiling Point: 181°Cat760mmHg
• Flash Point: 65.5°C
• PSA: 0.00000
• Density: 1.257g/cm³
• LogP: 2.96000
• XLogP3: 3.2
• 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-3-METHYLCYCLOHEXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(C1)Br

Technology Process of 1-BROMO-3-METHYLCYCLOHEXANE

There total 10 articles about 1-BROMO-3-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:

m-methylcyclohexanol (591-23-1) → 3-methylcyclohexyl bromide (13905-48-1)

Guidance literature:

With hydrogen bromide; at 100 ℃; optically active stereoisomer(ic)/s mixture; im Einschlussrohr;

Reference yield:

→ 3-methylcyclohexyl bromide (13905-48-1)

Guidance literature:

With hydrogen bromide; optically active stereoisomer(ic)/s mixture;

Reference yield:

bis(trans-2-methylcyclohexyl)propylborane (73959-25-8) → 3-methylcyclohexyl bromide (13905-48-1) + (±)-trans-1-bromo-2-methylcyclohexane (28046-85-7) + cis-1-bromo-2-methylcyclohexane (28046-84-6)

Guidance literature:

With tetrabutylammomium bromide; In tetrahydrofuran; anodic oxidation;

DOI:10.1246/cl.1980.461

upstream raw materials:

m-methylcyclohexanol

bis(trans-2-methylcyclohexyl)propylborane

Downstream raw materials:

1-<3-Methyl-cyclohexyl>-piperazin

cis/trans-3-Methyl-1-cyclohexancarbaldehyd

4-methylcyclohexene

1-[2-(2-chloro-benzhydryloxy)-ethyl]-4-(3-methyl-cyclohexyl)-piperazine

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