1-Bromo-2,2-dimethylpropane

Base Information

• Chemical Name: 1-Bromo-2,2-dimethylpropane
• CAS No.: 630-17-1
• Molecular Formula: C5H11Br
• Molecular Weight: 151.046
• Hs Code.: 29033919
• European Community (EC) Number: 211-132-5
• DSSTox Substance ID: DTXSID2060886
• Nikkaji Number: J95.691K
• Wikidata: Q72455016
• Mol file: 630-17-1.mol

Synonyms:neopentyl bromide

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

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 31mmHg at 25°C
• Melting Point: -105.4°C (estimate)
• Refractive Index: n20/D 1.436(lit.)
• Boiling Point: 107.9 °C at 760 mmHg
• Flash Point: 6.7 °C
• PSA: 0.00000
• Density: 1.215 g/cm³
• LogP: 2.42740
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in ethanol, ether, aetone and benzene. Insoluble in water.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 150.00441
• Heavy Atom Count: 6
• Complexity: 33.7

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-2,2-dimethylpropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CC(C)(C)CBr
• Uses: Neopentyl bromide is used in synthesis of S-alkylated cysteine derivatives with branched alkyl chains. It can be used in agrochemical, pharmaceutical and dyestuff field .

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

There total 27 articles about 1-Bromo-2,2-dimethylpropane 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: 89.0%

dineopentyl(bis(triphenylphosphine))palladium(II) → 2,2-dimethylpropyl bromide (630-17-1)

Guidance literature:

With bromine; In toluene;

DOI:10.1016/0022-328X(80)83011-7

Reference yield: 87.0%

1-(2,2-dimethyl-propyl)-2,4-diphenyl-5,6-dihydro-benzo[h]quinolinium; bromide (87444-95-9) → 2,2-dimethylpropyl bromide (630-17-1)

Guidance literature:

at 200 - 220 ℃; under 0.3 - 0.8 Torr;

Reference yield: 87.0%

dineopentyl(bis(triphenylphosphine))nickel(II) → 2,2-dimethylpropyl bromide (630-17-1)

Guidance literature:

With bromine; inert atmosphere; GLC;

DOI:10.1016/0022-328X(80)83011-7

upstream raw materials:

diazomethane

t-butyl bromide

methylene

2,2-dimethylpropane

Downstream raw materials:

2-methyl-but-2-ene

(4-neopentylphenyl)(phenyl)methanone

3,3-dimetyl-1,1-diphenylbutan-1-ol

[1-[4-(2,2-Dimethyl-propyl)-phenyl]-1-phenyl-meth-(Z)-ylidene]-phenyl-amine