1-Bromo-2,3-dimethylbutane

Base Information

• Chemical Name: 1-Bromo-2,3-dimethylbutane
• CAS No.: 30540-31-9
• Molecular Formula: C6H13Br
• Molecular Weight: 165.07100
• DSSTox Substance ID: DTXSID80546931
• Mol file: 30540-31-9.mol

Synonyms:1-Bromo-2,3-dimethylbutane;30540-31-9;Butane, 1-bromo-2,3-dimethyl-;SCHEMBL6972048;DTXSID80546931;CNNUHHAUPSXEKI-UHFFFAOYSA-N;AKOS013349579;EN300-673919

Chemical Property of 1-Bromo-2,3-dimethylbutane

Chemical Property:

• Melting Point: -44.22°C (estimate)
• Refractive Index: 1.4550
• Boiling Point: 147.26°C (estimate)
• PSA: 0.00000
• Density: 1.1900
• LogP: 2.67340
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 164.02006
• Heavy Atom Count: 7
• Complexity: 41.4

Purity/Quality:

1-Bromo-2,3-dimethylbutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)CBr

Technology Process of 1-Bromo-2,3-dimethylbutane

There total 9 articles about 1-Bromo-2,3-dimethylbutane 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: 0.57%

2,3-dimethylbutane (79-29-8) → 2-bromo-2,3-dimethylbutane (594-52-5) + 1-bromo-2,3-dimethyl-butane (30540-31-9)

Guidance literature:

With 2-Picolinic acid; Bromotrichloromethane; dihydrogen peroxide; relative reactivity;

DOI:10.1016/S0040-4039(00)94704-X

Reference yield:

2,3-dimethylbutane (79-29-8) → 1-chloro-2,3-dimethylbutane (600-06-6,54665-36-0) + 1-bromo-2,3-dimethyl-butane (30540-31-9)

Guidance literature:

With bromine; chlorine; In trichlorofluoromethane; Product distribution; Irradiation; various solvents, various products, hydrogen selectivity (3/1);

DOI:10.1016/S0040-4039(00)85163-1

Reference yield:

2,3-dimethylbutyric acid (14287-61-7) → 1-bromo-2,3-dimethyl-butane (30540-31-9)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂SO₄

2: LiAlH₄ / diethyl ether / Heating

3: CBr₄, Ph₃P

With lithium aluminium tetrahydride; carbon tetrabromide; sulfuric acid; triphenylphosphine; In diethyl ether;

DOI:10.1016/S0039-128X(70)80133-7

upstream raw materials:

2,3-Dimethyl-1-butene

2,3-dimethylbutanol

2,3-dimethylbutane

2,3-dimethylbutyl 4-methylbenzenesulfonate

Downstream raw materials:

24-methylcholest-5-en-3β-yl acetate

campesteryl acetate

3,4-Dimethylpentanoic acid