1-Bromo-4-methylhexane

Base Information

• Chemical Name: 1-Bromo-4-methylhexane
• CAS No.: 71434-55-4
• Molecular Formula: C₇H₁₅Br
• Molecular Weight: 179.1
• DSSTox Substance ID: DTXSID20549845
• Mol file: 71434-55-4.mol

Synonyms:1-Bromo-4-methylhexane;71434-55-4;d-1-Bromo-4-methylhexane;SCHEMBL8984156;DTXSID20549845;AKOS011897347;EN300-674054

Chemical Property of 1-Bromo-4-methylhexane

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 178.03571
• Heavy Atom Count: 8
• Complexity: 43.7

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CCCBr

Technology Process of 1-Bromo-4-methylhexane

There total 3 articles about 1-Bromo-4-methylhexane 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: 92.0%

4-methylhexan-1-ol (818-49-5) → 1-bromo-4-methylhexane (53353-01-8,104760-40-9,114927-30-9,71434-55-4)

Guidance literature:

With bromine; triphenylphosphine;

DOI:10.1021/np030321z

Reference yield: 58.0%

4-methyl-3-hexenyl bromide (19198-88-0) → 1-bromo-4-methylhexane (53353-01-8,104760-40-9,114927-30-9,71434-55-4)

Guidance literature:

With platinum(IV) oxide; hydrogen; acetic acid; for 5h;

DOI:10.1271/bbb.90805

Reference yield:

4-methylhex-1-ene (3769-23-1) → 1-bromo-4-methylhexane (53353-01-8,104760-40-9,114927-30-9,71434-55-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: HBBr₂*SMe₂ / CH₂Cl₂ / 3 h / Heating

1.2: 48 percent / aq. NaOH; H₂O₂ / methanol; CH₂Cl₂ / 2 h / 20 °C

2.1: 92 percent / Br₂; PPh₃

With dibromoborane dimethylsulfide; bromine; triphenylphosphine; In dichloromethane;

DOI:10.1021/np030321z

upstream raw materials:

4-methylhexan-1-ol

4-methylhex-1-ene

4-methyl-3-hexenyl bromide

Downstream raw materials:

3-methyldecane

8-methyl-2-decanone

2-(4-methylhexyl)cyclohexanone

4-methylhex-1-ene