1,5-Dibromo-3-methylpentane

Base Information

• Chemical Name: 1,5-Dibromo-3-methylpentane
• CAS No.: 4457-72-1
• Molecular Formula: C6H12Br2
• Molecular Weight: 243.969
• Hs Code.: 29033919
• European Community (EC) Number: 681-005-0
• NSC Number: 27967
• DSSTox Substance ID: DTXSID10196226
• Nikkaji Number: J2.719.769H
• Wikidata: Q83069297
• Mol file: 4457-72-1.mol

Synonyms:1,5-Dibromo-3-methylpentane;4457-72-1;3-METHYL-1,5-DIBROMOPENTANE;Pentane, 1,5-dibromo-3-methyl-;MFCD00039200;1,5-dibromo-3-methyl-pentane;NSC27967;SCHEMBL633776;DTXSID10196226;NSC 27967;NSC-27967;AKOS024387389;AS-59235;CS-0182622;FT-0635308;EN300-93461;E76674

Chemical Property of 1,5-Dibromo-3-methylpentane

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 0.0896mmHg at 25°C
• Refractive Index: 1.508-1.51
• Boiling Point: 232.5 °C at 760 mmHg
• Flash Point: 101.3 °C
• PSA: 0.00000
• Density: 1.58 g/cm³
• LogP: 3.19250
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 243.92853
• Heavy Atom Count: 8
• Complexity: 39.8

Purity/Quality:

99% ^*data from raw suppliers

1,5-Dibromo-3-methylpentane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCBr)CCBr
• Uses: 1,5-Dibromo-3-methylpentane is used as a chemical reagent, pharmaceutical intermediate, pharmaceutical research.

Technology Process of 1,5-Dibromo-3-methylpentane

There total 11 articles about 1,5-Dibromo-3-methylpentane 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: 85.0%

3-methylpentane-1,5-diol (4457-71-0) → 3-methyl-1,5-dibromopentane (4457-72-1)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/jm300571h

Reference yield: 79.0%

4-methyltetrahydropyran (4717-96-8) → 3-methyl-1,5-dibromopentane (4457-72-1)

Guidance literature:

With sulfuric acid; hydrogen bromide; for 3h; Heating;

DOI:10.1007/BF00630327

Reference yield:

(4-methylpiperidin-1-yl)(phenyl)methanone (17037-68-2,5470-88-2) → 3-methyl-1,5-dibromopentane (4457-72-1) + benzonitrile (100-47-0)

Guidance literature:

With bromine; phosphorus tribromide; Yield given. Multistep reaction; 1.) from 24 deg C to 34 deg C, 2.) reflux, 2 h;

DOI:10.1021/jo00362a009

upstream raw materials:

3-methylpentane-1,5-diol

(4-methylpiperidin-1-yl)(phenyl)methanone

4-methyltetrahydropyran

diethyl 3-methylglutarate

Downstream raw materials:

1-Brom-3-methyl-5-phthalimido-pentan

tetrahydro-4-methyl-2H-thiopyran

4-methyl-cyclohexane-1,1-dicarboxylic acid

4-methylcyclohexane-1-carbonitrile

Refernces

• 1、 Johnson,C.R.,McCants,D.. "-". . p. 1109 - 1114. Retrieved 1965.
• 2、 McCallum, Terry,Slavko, Ekaterina,Morin, Mathieu,Barriault, Louis. "Light-mediated deoxygenation of alcohols with a dimeric gold catalyst". supporting information. p. 81 - 85. Retrieved 2015/02/18.
• 3、 Avis,Boulanger,Belanger. "Synthesis and biological characterization of (Z)-9-heptadecenoic and (Z)-6-methyl-9-heptadecenoic acids: Fatty acids with antibiotic activity produced by Pseudozyma flocculosa". . p. 987 - 1000. Retrieved 2007/10/03.