1,3-Butanedione, 2-bromo-1-phenyl-

Base Information

• Chemical Name: 1,3-Butanedione, 2-bromo-1-phenyl-
• CAS No.: 57626-33-2
• Molecular Formula: C10H9BrO2
• Molecular Weight: 241.084
• DSSTox Substance ID: DTXSID40331269
• Nikkaji Number: J1.886.701J

Synonyms:1,3-Butanedione, 2-bromo-1-phenyl-;57626-33-2;SCHEMBL330589;alpha-Bromo-beta-oxobutyrophenone;DTXSID40331269

Chemical Property of 1,3-Butanedione, 2-bromo-1-phenyl-

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 239.97859
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C(=O)C1=CC=CC=C1)Br

Technology Process of 1,3-Butanedione, 2-bromo-1-phenyl-

There total 10 articles about 1,3-Butanedione, 2-bromo-1-phenyl- 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: 97.0%

1-phenylbutan-1,3-dione (93-91-4) → 2-bromo-1-phenyl-1,3-butanedione (57626-33-2)

Guidance literature:

With dimethylbromosulphonium bromide; In dichloromethane; at 20 ℃; for 0.333333h;

DOI:10.1021/jo061501r

Reference yield: 81.0%

1-hydroxy-1-phenyl-3-butanone (5381-93-1,86734-67-0,86734-69-2,127707-68-0) → 2-bromo-1-phenyl-1,3-butanedione (57626-33-2)

Guidance literature:

With N-Bromosuccinimide; dioxomolybdenum(VI) dichloride; In dichloromethane; at 30 ℃; for 5h;

DOI:10.1055/s-0028-1083273

Reference yield: 80.0%

1-Phenylbut-1-en-3-one (122-57-6) → 2-bromo-1-phenyl-1,3-butanedione (57626-33-2)

Guidance literature:

With dibromamine-T; sodium thiosulfate; In water; acetone; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2014.11.096

upstream raw materials:

1-phenylbutan-1,3-dione

1-hydroxy-1-phenyl-3-butanone

1-Phenylbut-1-en-3-one

2,2-dibromo-1-phenylbutane-1,3-dione

Downstream raw materials:

(6-methyl-imidazo[2,1-b]thiazol-5-yl)-phenyl-methanone

(2-amino-4-methyl-thiazol-5-yl)-phenyl-methanone

5-acetyl-2-(hexahydroazepin-1-yl)-4-phenylthiazole

5-benzoyl-2-(hexahydroazepin-1-yl)-4-methylthiazole

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