3-Bromohexan-2-one

Base Information

• Chemical Name: 3-Bromohexan-2-one
• CAS No.: 29584-99-4
• Molecular Formula: C6H11 Br O
• Molecular Weight: 179.057
• Hs Code.: 2914700090
• European Community (EC) Number: 684-177-5
• DSSTox Substance ID: DTXSID20550097
• Nikkaji Number: J2.420.881H
• Mol file: 29584-99-4.mol

Synonyms:3-Bromohexan-2-one;29584-99-4;3-BROMO 2-HEXANONE;2-Hexanone, 3-bromo-;SCHEMBL2944928;DTXSID20550097;EN300-6499775

Chemical Property of 3-Bromohexan-2-one

Chemical Property:

• PSA: 17.07000
• LogP: 2.13900
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 177.99933
• Heavy Atom Count: 8
• Complexity: 80.6

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

3-Bromohexan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C(=O)C)Br

Technology Process of 3-Bromohexan-2-one

There total 3 articles about 3-Bromohexan-2-one 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:

n-hexan-2-ol (626-93-7) → n-hexan-2-one (591-78-6) + 3-bromo-hexan-2-one (29584-99-4)

Guidance literature:

With sodium bromate; sulfuric acid; sodium bromide; In water; at 33 - 35 ℃; for 0.416667h; Microwave irradiation;

DOI:10.1016/j.tetlet.2010.10.009

Reference yield:

n-hexan-2-ol (626-93-7) → n-hexan-2-one (591-78-6) + 1-bromo-2-hexanone (26818-07-5) + 3-bromo-hexan-2-one (29584-99-4)

Guidance literature:

With sodium bromate; sulfuric acid; sodium bromide; In water; at 33 - 35 ℃; for 0.666667h; Microwave irradiation;

DOI:10.1016/j.tetlet.2010.10.009

Reference yield:

n-hexan-2-one (591-78-6) → 1-bromo-2-hexanone (26818-07-5) + 3-bromo-hexan-2-one (29584-99-4)

Guidance literature:

With potassium chlorate; bromine; Yield given. Yields of byproduct given;

upstream raw materials:

n-hexan-2-one

n-hexan-2-ol

Downstream raw materials:

3-[(2-phenylethylamino)methyl]hexan-2-one