3,3-Bis(bromomethyl)pentane

Base Information

• Chemical Name: 3,3-Bis(bromomethyl)pentane
• CAS No.: 67969-84-0
• Molecular Formula: C7H14Br2
• Molecular Weight: 257.996
• European Community (EC) Number: 267-985-9
• DSSTox Substance ID: DTXSID7070927
• Nikkaji Number: J287.748A
• Wikidata: Q72464122
• Mol file: 67969-84-0.mol

Synonyms:3,3-Bis(bromomethyl)pentane;67969-84-0;1,3-Dibromo-2,2-diethylpropane;Pentane, 3,3-bis(bromomethyl)-;EINECS 267-985-9;SCHEMBL5688955;3,3-Bis(bromomethyl)pentane #;DTXSID7070927;MFCD00039190;AKOS015995473;FT-0606622;A867152

Chemical Property of 3,3-Bis(bromomethyl)pentane

Chemical Property:

• Vapor Pressure: 0.126mmHg at 25°C
• Melting Point: 38-41oC
• Boiling Point: 96-97°C 10mm
• Flash Point: 96-97°C/10mm
• PSA: 0.00000
• Density: 1.513
• LogP: 3.58260
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 257.94418
• Heavy Atom Count: 9
• Complexity: 61.3

Purity/Quality:

97% ^*data from raw suppliers

3,3-Bis(bromomethyl)pentane 90% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(CBr)CBr

Technology Process of 3,3-Bis(bromomethyl)pentane

There total 1 articles about 3,3-Bis(bromomethyl)pentane 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:

2,2-diethyl-1,3-propanediol (115-76-4) → 1,3-dibromo-2,2-diethylpropane (67969-84-0)

Guidance literature:

With phosphorus tribromide; at 70 ℃;

Reference yield: 25.0%

1,3-dibromo-2,2-diethylpropane (67969-84-0) + 3-tert-butyl-1H-pyrazole-5-amine (82560-12-1,1237537-54-0) → 2-tert-butyl-6,6-diethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Guidance literature:

With sodium t-butanolate; In dimethyl sulfoxide; at 95 - 120 ℃; for 2h;

Reference yield:

1,3-dibromo-2,2-diethylpropane (67969-84-0) → 1,1-diethylcyclopropane (1003-19-6)

Guidance literature:

With ethanol; zinc;

upstream raw materials:

2,2-diethyl-1,3-propanediol

Downstream raw materials:

1,1-diethylcyclopropane