4-Bromo-2,2-dimethyl-3-pentanone

Base Information

• Chemical Name: 4-Bromo-2,2-dimethyl-3-pentanone
• CAS No.: 32278-29-8
• Molecular Formula: C7H13BrO
• Molecular Weight: 193.08200
• European Community (EC) Number: 822-629-7
• Mol file: 32278-29-8.mol

Synonyms:4-Bromo-2,2-dimethyl-3-pentanone;32278-29-8;4-bromo-2,2-dimethylpentan-3-one;MFCD20621245;4-Bromo-2,2-dimethyl-pentan-3-one;SCHEMBL6218904;DZHSIOPOJHOGKT-UHFFFAOYSA-N;AC1895;AKOS032455785;CS-11956;SY034180;CS-0450974;FT-0757918;EN300-345925;A913900

Chemical Property of 4-Bromo-2,2-dimethyl-3-pentanone

Chemical Property:

• PSA: 17.07000
• LogP: 2.38500
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.01498
• Heavy Atom Count: 9
• Complexity: 113

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2,2-dimethyl-3-pentanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)C(C)(C)C)Br

Technology Process of 4-Bromo-2,2-dimethyl-3-pentanone

There total 5 articles about 4-Bromo-2,2-dimethyl-3-pentanone 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: 83.0%

4,4-dimethyl-pent-2-ene (26232-98-4) → 3,4-dibromo-2,2-dimethyl-pentane (856339-05-4) + 4-bromo-2,2-dimethylpentan-3-one (32278-29-8)

Guidance literature:

With sodium bromite; In water; acetic acid; for 5h; Yield given; Ambient temperature;

DOI:10.1246/cl.1983.1481

Reference yield:

2,2-dimethyl-3-pentanone (564-04-5) → 4-bromo-2,2-dimethylpentan-3-one (32278-29-8)

Guidance literature:

With phosphorus pentabromide; Petroleum ether;

Reference yield:

2,2-dimethyl-3-pentanol (3970-62-5) → 4-bromo-2,2-dimethylpentan-3-one (32278-29-8)

Guidance literature:

Multi-step reaction with 2 steps

1: chromic acid mixture

2: petroleum ether; phosphorus pentabromide

With phosphorus pentabromide; chromic acid; Petroleum ether;

upstream raw materials:

2,2-dimethyl-3-pentanone

4,4-dimethyl-pent-2-ene

phosphorus pentabromide

2,2-dimethyl-3-pentanol

Downstream raw materials:

4-(2,4-Dichloro-phenoxy)-2,2-dimethyl-pentan-3-one

(4SR,5SR)-5-hydroxy-5-phenyl-2,2,4-trimethyl-3-pentanone

erythro hydroxy-5 phenyl-7 tetramethyl-2,2,4,5 heptene-6 one-3

threo hydroxy-5 phenyl-7 tetramethyl-2,2,4,5 heptene-6 one-3