1-BROMO-3,3-DIMETHYLBUTANE

Base Information

• Chemical Name: 1-BROMO-3,3-DIMETHYLBUTANE
• CAS No.: 1647-23-0
• Molecular Formula: C6H13Br
• Molecular Weight: 165.073
• Hs Code.: 2903399090
• Mol file: 1647-23-0.mol

Synonyms:1-Bromo-3,3-dimethylbutane;3,3-Dimethyl-1-bromobutane;3,3-Dimethylbutyl bromide;Neohexyl bromide;

Chemical Property of 1-BROMO-3,3-DIMETHYLBUTANE

Chemical Property:

• Vapor Pressure: 8.53mmHg at 25°C
• Melting Point: -44.22°C (estimate)
• Refractive Index: 1.445
• Boiling Point: 138 °C at 760 mmHg
• Flash Point: 33.1 °C
• PSA: 0.00000
• Density: 1.172 g/cm³
• LogP: 2.81750
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-Bromo-3,3-dimethylbutane is a useful reagent for the preparation of macrocycles as modulators of CFTR in the treatment of cystic fibrosis.

Technology Process of 1-BROMO-3,3-DIMETHYLBUTANE

There total 15 articles about 1-BROMO-3,3-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: 99.2%

3,3-dimethylbutanol (624-95-3) → 3,3-dimethylbutyl bromide (1647-23-0)

Guidance literature:

With pyridine; phosphorus tribromide; for 12h; Heating;

DOI:10.1016/S0968-0896(00)00009-2

Reference yield: 99.0%

{(C5H5)Re(NO)(P(C6H5)3)(ICH2CH2C(CH3)3)}(1+)*BF4(1-) = {(C5H5)Re(NO)(P(C6H5)3)(ICH2CH2C(CH3)3)}BF4 + bis(triphenylphosphoranylidene)ammonium bromide (20545-30-6) → (η5-C5H5)Re(NO)(PPh3)(I) + 3,3-dimethylbutyl bromide (1647-23-0)

Guidance literature:

In dichloromethane-d2; (N2), NMR-tube, cooled to -80°C, kept at -40°C for 12 h; H-, P-NMR, GLC;

Reference yield:

tert-butylethylene (558-37-2) → 1,4-dibromo-2,3-bis-bromomethyl-but-2-ene (30432-16-7) + 3,3-dimethylbutyl bromide (1647-23-0) + 1,2-dibromo-3,3-dimethylbutane (640-21-1)

Guidance literature:

With bromine;

DOI:10.1021/jo00947a027

upstream raw materials:

tert-butylethylene

ethene

t-butyl bromide

3,3-dimethylbutanol

Downstream raw materials:

2,2-Dimethylbutane

3,3-dimethylbutanol

3,3-dimethylbutylamine

3,3-Dimethyl-butyl-p-tolyl-sulfid

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