4-Bromobutyrophenone

Base Information

• Chemical Name: 4-Bromobutyrophenone
• CAS No.: 24070-52-8
• Molecular Formula: C10H11 Br O
• Molecular Weight: 227.101
• Hs Code.: 2914700090
• European Community (EC) Number: 246-005-3
• NSC Number: 132000
• DSSTox Substance ID: DTXSID50178804
• Nikkaji Number: J47.278F
• Wikidata: Q63391933
• Mol file: 24070-52-8.mol

Synonyms:4-Bromobutyrophenone;24070-52-8;4-bromo-1-phenylbutan-1-one;Butyrophenone, 4-bromo-;1-Butanone,4-bromo-1-phenyl-;1-Butanone, 4-bromo-1-phenyl-;EINECS 246-005-3;4-bromo-1-phenyl-1-butanone;NSC132000;gamma-Bromobutyrophenone;SCHEMBL2116192;DTXSID50178804;MFCD00045056;NSC 132000;NSC-132000;Q63391933

Chemical Property of 4-Bromobutyrophenone

Chemical Property:

• Vapor Pressure: 0.00113mmHg at 25°C
• Boiling Point: 300.3°C at 760 mmHg
• Flash Point: 77.9°C
• PSA: 17.07000
• Density: 1.358g/cm³
• LogP: 3.04440
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 225.99933
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromobutyrophenone

There total 22 articles about 4-Bromobutyrophenone 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: 99.0%

1-phenyl-1-cyclobutanol (935-64-8) → 4-bromo-1-phenyl-1-butanone (24070-52-8)

Guidance literature:

With tetrabutylammomium bromide; 6,7-dichlorobenzo[d][1,2]dioxine-1,4-dione; In 1,2-dichloro-ethane; for 0.5h; Reagent/catalyst; Solvent; Irradiation; Inert atmosphere;

DOI:10.1021/acs.orglett.8b00161

Reference yield: 90.0%

cyclopropyl phenyl ketone (3481-02-5) → 4-bromo-1-phenyl-1-butanone (24070-52-8)

Guidance literature:

With boron tribromide; tert-butyl alcohol; In dichloromethane; at 23 ℃; for 18h; regioselective reaction;

DOI:10.1039/d0sc02567d

Reference yield: 72.0%

1-Bromo-4-phenylbutane (13633-25-5) → 4-bromo-1-phenyl-1-butanone (24070-52-8)

Guidance literature:

With 4,5,6,7-tetrafluoro-2-hydroxy-3-(2,2,2-trifluoroethoxy)-3-trifluoromethylisoindolin-1-one; oxygen; cobalt(II) acetate; manganese(III) triacetate dihydrate; In 2,2,2-trifluoroethanol; at 60 ℃; for 48h; under 760.051 Torr; chemoselective reaction;

DOI:10.1248/cpb.c16-00083

upstream raw materials:

α-benzoyl-γ-butyrolactone

cyclopropyl phenyl ketone

1-benzoylcyclopropanecarboxylic acid

4-bromobutanenitrile

Downstream raw materials:

3-methylindanone

cyclopropyl phenyl ketone

1,8-dibromo-4,5-diphenyl-octane-4,5-diol

6-Cyclohexyl-4-(4-oxo-4-phenyl-butyl)-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione

Refernces

• 1、 Chen, Cheng-Chun,Hou, Duen-Ren,Kotipalli, Trimurtulu,Kuan, Tzu-Hsuan. "Addition of benzyl ethers to alkynes: A metal-free synthesis of 1: H -isochromenes". . p. 10390 - 10402. Retrieved 2021/12/17.
• 2、 Wang, Yiqiong,Huang, Fei,Zhang, Songlin. "Intramolecular Cyclization of Brominated Oxime Ether Promoted with Ytterbium(0) to the Synthesis of Cyclic Imines". supporting information. p. 5178 - 5181. Retrieved 2020/08/13.