1,1-Dibromopentane

Base Information

• Chemical Name: 1,1-Dibromopentane
• CAS No.: 13320-56-4
• Molecular Formula: C5H10 Br2
• Molecular Weight: 229.942
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID70475645
• Nikkaji Number: J2.386.977B
• Wikidata: Q82306303
• Mol file: 13320-56-4.mol

Synonyms:1,1-dibromopentane;Pentane, 1,1-dibromo-;13320-56-4;SCHEMBL339364;DTXSID70475645

Chemical Property of 1,1-Dibromopentane

Chemical Property:

• Melting Point: -28.63°C (estimate)
• Refractive Index: 1.4990
• Boiling Point: 189°C (estimate)
• PSA: 0.00000
• Density: 1.6540
• LogP: 3.29250
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 229.91288
• Heavy Atom Count: 7
• Complexity: 35.1

Purity/Quality:

99% ^*data from raw suppliers

1,1-DIBROMOPENTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(Br)Br

Technology Process of 1,1-Dibromopentane

There total 4 articles about 1,1-Dibromopentane 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: 70.0%

1-iodo-butane (542-69-8) + 1,1-dibromomethane (74-95-3) → 1,1-dibromopentane (13320-56-4)

Guidance literature:

1,1-dibromomethane; With lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; hexane; at -90 - -85 ℃; for 8.41667h; Inert atmosphere;

1-iodo-butane; With N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; diethyl ether; hexane; at -90 - -23 ℃; for 8h; Inert atmosphere;

DOI:10.15227/orgsyn.073.0073

Reference yield: 47.0%

dibromo-1,1 trimethylsilyl-1 pentane (41294-35-3) → 1,1-dibromopentane (13320-56-4)

Guidance literature:

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; for 3h; Ambient temperature;

DOI:10.1016/S0022-328X(00)87637-8

Reference yield:

1-iodo-butane (542-69-8) + dibromomethyllithium (37555-63-8) → 1,1-dibromopentane (13320-56-4)

Guidance literature:

DOI:10.1016/0022-328X(89)85159-9

upstream raw materials:

1-iodo-butane

1,1-dibromomethane

dibromomethyllithium

dibromo-1,1 trimethylsilyl-1 pentane

Downstream raw materials:

α-bromohexanophenone

2-Bromo-1-cyclohexyl-hexan-1-one

Trimethyl-((Z)-1-phenethyl-hex-1-enyloxy)-silane

1-(5-bromopentyl)-2,4,5-triphenyl-imidazole