3-Bromo-2-pentanone

Base Information

• Chemical Name: 3-Bromo-2-pentanone
• CAS No.: 815-48-5
• Molecular Formula: C5H9BrO
• Molecular Weight: 165.03
• DSSTox Substance ID: DTXSID70434075
• Nikkaji Number: J698.887C
• Mol file: 815-48-5.mol

Synonyms:3-bromopentan-2-one;3-bromo-2-pentanone;815-48-5;2-Pentanone, 3-bromo-;3-bromo-pentan-2-one;3-Brom-pentanon-(2);SCHEMBL539353;DTXSID70434075;VKJQRFXZZVMMGA-UHFFFAOYSA-N;EN300-366009

Chemical Property of 3-Bromo-2-pentanone

Chemical Property:

• PSA: 17.07000
• LogP: 1.74890
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 163.98368
• Heavy Atom Count: 7
• Complexity: 70.5

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)C)Br

Technology Process of 3-Bromo-2-pentanone

There total 7 articles about 3-Bromo-2-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: 75.0%

2-Pentanone (107-87-9) → 3-bromopentan-2-one (815-48-5)

Guidance literature:

With bromine; In methanol; for 1.3h; Heating;

DOI:10.1080/00397919408010567

Reference yield: 65.0%

2-Pentanone (107-87-9) → 1-bromopentan-2-one (817-71-0) + 3-bromopentan-2-one (815-48-5)

Guidance literature:

With N-Bromosuccinimide; ammonium acetate; In tetrachloromethane; at 80 ℃; for 0.5h;

DOI:10.1039/b315340a

Reference yield: 32.0%

→ 3-bromopentan-2-one (815-48-5)

Guidance literature:

upstream raw materials:

2-Pentanone

water

bromine

acetic acid

Downstream raw materials:

2-ethyl-3-methylindole

1,3-dibromo-pentan-2-one

3,3-dibromo-pentan-2-one

2-amino-5-ethyl-4-methylthiazole

Refernces

• 1、 -. "METALLOENZYME INHIBITOR COMPOUNDS". Page/Page column 174; 328; 329. . Retrieved 2017/07/31.
• 2、 -. "CXCR4 RECEPTOR ANTAGONISTS". Page/Page column 35. . Retrieved 2012/05/04.