1-Bromo-4-methylpentan-2-one

Base Information

• Chemical Name: 1-Bromo-4-methylpentan-2-one
• CAS No.: 29585-02-2
• Molecular Formula: C6H11BrO
• Molecular Weight: 179.057
• DSSTox Substance ID: DTXSID701308830
• Nikkaji Number: J522.627I
• Mol file: 29585-02-2.mol

Synonyms:1-Bromo-4-methylpentan-2-one;29585-02-2;1-bromo-4-methyl-2-pentanone;1-bromo-4-methyl-pentan-2-one;2-Pentanone, 1-bromo-4-methyl-;Bromomethylisobutyl ketone;bromomethyl isobutyl ketone;SCHEMBL640906;l-bromo-4-methyl-2-pentanone;4-methyl-1-bromopentan-2-one;1-bromo-4-methylpentane-2-one;HCJUXWODMAMVGQ-UHFFFAOYSA-N;DTXSID701308830;MFCD20482281;AKOS017529129;AS-6342;CS-0333315;FT-0719015;EN300-127267;J-504450

Chemical Property of 1-Bromo-4-methylpentan-2-one

Chemical Property:

• 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: 78.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(=O)CBr

Technology Process of 1-Bromo-4-methylpentan-2-one

There total 2 articles about 1-Bromo-4-methylpentan-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: 90.0%

4-methyl-2-pentanone (108-10-1) → 1-bromo-4-methyl-2-pentanone (29585-02-2) + 3-bromo-4-methyl-2-pentanone (29585-01-1)

Guidance literature:

With bromine; In methanol; at -2 ℃; for 2h;

Reference yield:

water (7732-18-5) + bromine (7726-95-6) + 4-methyl-2-pentanone (108-10-1) → 1-bromo-4-methyl-2-pentanone (29585-02-2) + 3-bromo-4-methyl-2-pentanone (29585-01-1)

Guidance literature:

Product distribution;

DOI:10.1039/jr9510002430

Reference yield: 82.0%

1-bromo-4-methyl-2-pentanone (29585-02-2) + 4,6-diphenyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile (58327-74-5) → 2-(2-oxoisohexylsulfanyl)-4,6-diphenylnicotinonitrile

Guidance literature:

With potassium hydroxide; In water; N,N-dimethyl-formamide; for 24.5h; regioselective reaction;

DOI:10.1134/S1070363215060146

upstream raw materials:

4-methyl-2-pentanone

water

bromine

Downstream raw materials:

4-Methyl-1-phenylthio-2-pentanon

4-methyl-1-(2,4,6-trimethylbenzenesulfonyloxy)-2-pentanone

2-bromo-3-(methylamino)naphthalene-1,4-dione

2-(1-methylethyl)-5-(2-methylpropyl)pyrazine