3-(4-Chlorophenyl)-4-nitro-1-phenylbutan-1-one

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-4-nitro-1-phenylbutan-1-one
• CAS No.: 85142-29-6
• Molecular Formula: C16H14ClNO3
• Molecular Weight: 303.745
• DSSTox Substance ID: DTXSID00384993
• Nikkaji Number: J1.604.237D
• Mol file: 85142-29-6.mol

Synonyms:3-(4-chlorophenyl)-4-nitro-1-phenylbutan-1-one;85142-29-6;Oprea1_002219;SCHEMBL22831460;DTXSID00384993;CCG-43493;beta-(4-Chlorophenyl)-gamma-nitrobutyrophenone;SR-01000633412-1

Chemical Property of 3-(4-Chlorophenyl)-4-nitro-1-phenylbutan-1-one

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 303.0662210
• Heavy Atom Count: 21
• Complexity: 355

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CC(C[N+](=O)[O-])C2=CC=C(C=C2)Cl

Technology Process of 3-(4-Chlorophenyl)-4-nitro-1-phenylbutan-1-one

There total 6 articles about 3-(4-Chlorophenyl)-4-nitro-1-phenylbutan-1-one 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%

3-(4-chlorophenyl)-1-phenylprop-2-en-1-one (956-04-7) + nitromethane (75-52-5) → 4-nitro-1-phenyl-1-(4'-chlorophenyl)-1-butanone (85142-29-6)

Guidance literature:

With potassium fluoride on clinoptilolite; In methanol; at 45 ℃; for 1.66667h;

DOI:10.1016/j.cclet.2012.02.006

Reference yield: 95.0%

nitromethane (75-52-5) + 4-chlorochalcone (24721-26-4,956-04-7,22252-16-0) → 4-nitro-1-phenyl-1-(4'-chlorophenyl)-1-butanone (85142-29-6)

Guidance literature:

With potassium hydroxide; In ethanol; at 28 - 35 ℃; for 1h; Irradiation; ultrasound;

DOI:10.1081/SCC-120015762

Reference yield:

1-chloro-4-(2-nitrovinyl)benzene (706-07-0,5153-70-8) + acetophenone (98-86-2) → 4-nitro-1-phenyl-1-(4'-chlorophenyl)-1-butanone (85142-29-6)

Guidance literature:

acetophenone; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

1-chloro-4-(2-nitrovinyl)benzene; In tetrahydrofuran; for 3h; Inert atmosphere; Cooling;

With ammonium chloride; In tetrahydrofuran; water; Inert atmosphere;

DOI:10.1021/ol8025268

upstream raw materials:

3-(4-chlorophenyl)-1-phenylprop-2-en-1-one

nitromethane

4-chlorochalcone

4-chlorobenzaldehyde

Downstream raw materials:

2-bromo-3-(4-chloro-phenyl)-4-nitro-1-phenyl-butan-1-one

(R)-phenyl 3-(4-chlorophenyl)-4-nitrobutanoate

2-phenyl-4-(4-chlorophenyl)furan

(R)-(-)-baclofen hydrochloride