alpha-Bromochalcone

Base Information

• Chemical Name: alpha-Bromochalcone
• CAS No.: 6935-75-7
• Molecular Formula: C15H11BrO
• Molecular Weight: 287.156
• Hs Code.: 2914700090
• NSC Number: 167201,32212
• Nikkaji Number: J1.533.185B,J48.397D
• Mol file: 6935-75-7.mol

Synonyms:alpha-bromochalcone;2-bromo-1,3-diphenylprop-2-en-1-one;6935-75-7;Chalcone, .alpha.-bromo-;WLN: RVYEU1R;MLS002639443;NSC32212;2-Propen-1-one, 2-bromo-1,3-diphenyl-;.alpha.-Bromochalcone;1,3-Diphenyl-2-bromo-2-propene-1-one;SCHEMBL981421;KRLKFHWRCHJJGA-KAMYIIQDSA-N;AMY25170;NSC-32212;NSC167201;NSC-167201;32147-20-9;(Z)-1,3-Diphenyl-2-bromo-2-propene-1-one

Chemical Property of alpha-Bromochalcone

Chemical Property:

• Vapor Pressure: 3.51E-06mmHg at 25°C
• Boiling Point: 386.5°C at 760 mmHg
• Flash Point: 71.3°C
• PSA: 17.07000
• Density: 1.415g/cm³
• LogP: 4.30530
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 285.99933
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of alpha-Bromochalcone

There total 16 articles about alpha-Bromochalcone 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%

benzalacetophenone (94-41-7) → 2-bromo-1,3-diphenyl-2-propen-1-one (6935-75-7)

Guidance literature:

benzalacetophenone; With bromine; In dichloromethane; at 0 ℃; for 0.5h;

With sodium acetate; In ethanol; for 4h; Reflux;

DOI:10.1002/ejoc.201600233

Reference yield: 80.0%

2,3-dibromo-1,3-diphenylpropane-1-one (611-91-6) → 2-bromo-1,3-diphenyl-2-propen-1-one (6935-75-7) + benzalacetophenone (94-41-7)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; for 0.5h; Heating;

DOI:10.1246/bcsj.74.1089

Reference yield: 80.0%

2,3-dibromo-1,3-diphenylpropane-1-one (611-91-6) → 2-bromo-1,3-diphenyl-2-propen-1-one (6935-75-7)

Guidance literature:

With triethylamine; In benzene; for 24h; Ambient temperature;

DOI:10.1007/BF01170738

upstream raw materials:

ethanol

2,3-dibromo-1,3-diphenylpropane-1-one

potassium acetate

α,β-bibromo-chalcone

Downstream raw materials:

1,3-diphenyl-3-phenylsulfanyl-propan-1-one

2-bromo-1,3-diphenyl-3-p-tolyl-propan-1-one

2,2,3-tribromo-1,3-diphenylpropanone

Potassium benzoate

Refernces

• 1、 Chao, Tzu-Hsuan,Cheng, Mu-Jeng,Kardile, Rahul Dadabhau,Liu, Rai-Shung. "Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Cyclization–[4+3] Annulation Cascades between 2-(1-Alkynyl)-2-alken-1-ones and Anthranils". supporting information. p. 10396 - 10400. Retrieved 2020/04/29.
• 2、 Poulsen, Pernille H.,Li, Yang,Lauridsen, Vibeke H.,J?rgensen, Danny K. B.,Palazzo, Teresa A.,Meazza, Marta,J?rgensen, Karl Anker. "Organocatalytic Formation of Chiral Trisubstituted Allenes and Chiral Furan Derivatives". supporting information. p. 10661 - 10665. Retrieved 2018/07/30.