1-Bromo-2,4-dimethylpentane

Base Information

• Chemical Name: 1-Bromo-2,4-dimethylpentane
• CAS No.: 6570-91-8
• Molecular Formula: C7H15Br
• Molecular Weight: 179.1
• European Community (EC) Number: 841-553-5
• DSSTox Substance ID: DTXSID00605736
• Nikkaji Number: J888.708J
• Mol file: 6570-91-8.mol

Synonyms:1-Bromo-2,4-dimethylpentane;6570-91-8;Brom-2.4-dimethylpentan;SCHEMBL1329633;DTXSID00605736;AKOS013999406;DB-337127;EN300-198235;G58112

Chemical Property of 1-Bromo-2,4-dimethylpentane

Chemical Property:

• PSA: 0.00000
• LogP: 3.06350
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 178.03571
• Heavy Atom Count: 8
• Complexity: 50.3

Purity/Quality:

99% ^*data from raw suppliers

1-bromo-2,4-dimethylpentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)CBr

Technology Process of 1-Bromo-2,4-dimethylpentane

There total 15 articles about 1-Bromo-2,4-dimethylpentane 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: 94.0%

toluene-4-sulfonic acid 2,4-dimethyl-pentyl ester → 1-Bromo-2,4-dimethylpentane (6570-91-8)

Guidance literature:

With lithium bromide; In acetone; at 20 ℃;

DOI:10.1007/BF02033674

Reference yield: 90.0%

(S)-2,4-Dimethylpentyl p-toluenesulfonate (173852-44-3) → (S)-1-Bromo-2,4-dimethylpentane (6570-91-8)

Guidance literature:

With sodium hydrogencarbonate; lithium bromide; In acetone; 1.) r.t., 12 h, 2.) reflux, 15 h;

Reference yield:

→ 1-Bromo-2,4-dimethylpentane (6570-91-8)

Guidance literature:

With sulfuric acid; water; hydrogen bromide;

upstream raw materials:

(2S)-2,4-dimethyl-1-pentanol

(S)-2,4-Dimethylpentyl p-toluenesulfonate

phosphorus tribromide

2,4-dimethylpentane-1,5-diol

Downstream raw materials:

(2R,3R,6R)-1-(tert-Butyldiphenylsilyloxy)-2,6,8-trimethyl-3-nonanol

3,5-dimethyl-hexanal

2,6,8-trimethyl-4-nonanol

4,6-Dimethyl-heptanol-(1)