1-Bromo-2,2-dimethylbutane

Base Information

• Chemical Name: 1-Bromo-2,2-dimethylbutane
• CAS No.: 62168-42-7
• Molecular Formula: C₆H₁₃Br
• Molecular Weight: 165.073
• DSSTox Substance ID: DTXSID70445984
• Wikidata: Q82264538

Synonyms:1-bromo-2,2-dimethylbutane;62168-42-7;Butane, 1-bromo-2,2-dimethyl-;SCHEMBL507407;DTXSID70445984;AKOS012020728;CS-0223721;EN300-116426

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

Chemical Property:

• Melting Point: -44.22°C (estimate)
• Refractive Index: 1.4447
• Boiling Point: 147.26°C (estimate)
• PSA: 0.00000
• Density: 1.1669
• LogP: 2.81750
• 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: 48.1

Purity/Quality:

99% ^*data from raw suppliers

1-bromo-2,2-dimethylbutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)CBr

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

There total 2 articles about 1-Bromo-2,2-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: 53.0%

2,2-Dimethyl-1-butanol (1185-33-7) → 1-bromo-2,2-dimethylbutane (62168-42-7)

Guidance literature:

With pyridine; bromine; triphenylphosphine; In acetonitrile; at 85 ℃; for 18h;

DOI:10.1016/0022-328X(94)80137-1

Reference yield:

→ 1-bromo-2,2-dimethylbutane (62168-42-7)

Guidance literature:

2,2-Dimethylbutanol-4, Phosphortribromid;

Reference yield: 84.0%

tetrakis(triphenylphosphine)platinum (14221-02-4) + 1-bromo-2,2-dimethylbutane (62168-42-7) + toluene (108-88-3,15644-74-3,16713-13-6) → trans-bromo(benzyl)bis(triphenylphosphine)platinum(II) + Pt(PPh3)2Br2 (18517-48-1,26026-46-0,16242-58-3)

Guidance literature:

In toluene; Irradiation (UV/VIS); 20°C; 5 h;;

DOI:10.1016/0022-328X(94)80137-1

upstream raw materials:

2,2-Dimethyl-1-butanol

Downstream raw materials:

Pt(PPh₃)₂Br₂

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