2,3-DIBROMO-3-PHENYLPROPIOPHENONE

Base Information

• Chemical Name: 2,3-DIBROMO-3-PHENYLPROPIOPHENONE
• CAS No.: 611-91-6
• Molecular Formula: C15H12Br2O
• Molecular Weight: 368.068
• Hs Code.: 29147000
• European Community (EC) Number: 210-282-9
• NSC Number: 2715
• DSSTox Substance ID: DTXSID70883468
• Nikkaji Number: J95.735F
• Mol file: 611-91-6.mol

Synonyms:Propiophenone,2,3-dibromo-3-phenyl- (6CI,7CI,8CI);1,3-Diphenyl-2,3-dibromo-1-propanone;2,3-Dibromo-1,3-diphenyl-1-propanone;2,3-Dibromo-3-phenylpropiophenone;Benzalacetophenone dibromide;Chalcone dibromide;NSC 2715;

Chemical Property of 2,3-DIBROMO-3-PHENYLPROPIOPHENONE

Chemical Property:

• Vapor Pressure: 5.57E-07mmHg at 25°C
• Melting Point: 156 °C
• Refractive Index: 1.635
• Boiling Point: 411.5°C at 760 mmHg
• Flash Point: 104.7°C
• PSA: 17.07000
• Density: 1.631g/cm³
• LogP: 4.76900
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 367.92344
• Heavy Atom Count: 18
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

2,3-DIBROMO-1,3-DIPHENYL-PROPAN-1-ONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)Br)Br

Technology Process of 2,3-DIBROMO-3-PHENYLPROPIOPHENONE

There total 46 articles about 2,3-DIBROMO-3-PHENYLPROPIOPHENONE 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: 95.0%

benzalacetophenone (94-41-7) → 2,3-dibromo-1,3-diphenylpropane-1-one (611-91-6)

Guidance literature:

With ammonium cerium(IV) nitrate; potassium bromide; In dichloromethane; water; at 20 ℃; for 0.333333h;

DOI:10.1016/S0040-4020(01)00712-8

Reference yield: 64.0%

benzalacetophenone (94-41-7) → 2,3-dibromo-1,3-diphenylpropane-1-one (611-91-6) + 3-hydroxy-2-bromo-1,3-diphenylpropan-1-one (81633-02-5) + 2-bromo-1,3-diphenylpropane-1,3-dione (728-84-7)

Guidance literature:

With sodium bromate; sulfuric acid; sodium bromide; In 1,4-dioxane; water; at 20 ℃; for 10h;

DOI:10.1016/j.tetlet.2009.03.047

Reference yield: 63.0%

1,3-diphenyl-propen-3-one (614-47-1) → 2,3-dibromo-1,3-diphenylpropane-1-one (611-91-6)

Guidance literature:

With bromine; In tetrachloromethane; at 0 ℃; for 0.5h;

DOI:10.1021/jo016320y

upstream raw materials:

2-bromo-1,3-diphenyl-2-propen-1-one

benzaldehyde

α-bromoacetophenone

diethyl ether

Downstream raw materials:

2-bromo-1,3-diphenyl-2-propen-1-one

((2S,3S)-1-Cyclohexyl-3-phenyl-aziridin-2-yl)-phenyl-methanone

trans-1-cyclohexyl-2-phenyl-3-benzoylaziridine

phenyl 1,3,3-triphenylprop-2-enyl ketone

Refernces

• 1、 Wang, Lei,Zhai, Lele,Chen, Jinyan,Gong, Yulin,Wang, Peng,Li, Huilin,She, Xuegong. "Catalyst-Free 1,2-Dibromination of Alkenes Using 1,3-Dibromo-5,5-dimethylhydantoin (DBDMH) as a Bromine Source". supporting information. p. 3177 - 3183. Retrieved 2022/02/23.
• 2、 Iakovenko, Roman,Hlavá?, Jan. "Visible light-mediated metal-free double bond deuteration of substituted phenylalkenes". supporting information. p. 440 - 446. Retrieved 2021/01/28.