beta-(2-Nitrophenyl)propiophenone

Base Information

• Chemical Name: beta-(2-Nitrophenyl)propiophenone
• CAS No.: 58751-63-6
• Molecular Formula: C₁₅H₁₃NO₃
• Molecular Weight: 255.273
• DSSTox Substance ID: DTXSID301284761
• Nikkaji Number: J3.031.464F
• Mol file: 58751-63-6.mol

Synonyms:beta-(2-Nitrophenyl)propiophenone;DTXSID301284761;3-(2-Nitrophenyl)-1-phenyl-1-propanone;58751-63-6

Chemical Property of beta-(2-Nitrophenyl)propiophenone

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 255.08954328
• Heavy Atom Count: 19
• Complexity: 318

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2[N+](=O)[O-]

Technology Process of beta-(2-Nitrophenyl)propiophenone

There total 7 articles about beta-(2-Nitrophenyl)propiophenone 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: 94.0%

2-nitrochalcone (53744-31-3,7473-93-0) → 3-(2-nitrobenzene)-1-phenylpropan-1-one (58751-63-6)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; ephedrine; In toluene; at 60 ℃; for 36h; chemoselective reaction; Inert atmosphere;

DOI:10.14233/ajchem.2018.21480

Reference yield: 89.2%

acetophenone (98-86-2) + 2-nitro-benzaldehyde (552-89-6) → 3-(2-nitrobenzene)-1-phenylpropan-1-one (58751-63-6)

Guidance literature:

With N¹-dodecyl-N³-(piperidin-2-ylethyl)imidazolium benzoate; In water; at 50 ℃; for 2h; Reagent/catalyst;

Reference yield: 84.0%

2-nitrocinnamic aldehyde (1466-88-2,66894-06-2) + phenylboronic acid (98-80-6) → 3-(2-nitrobenzene)-1-phenylpropan-1-one (58751-63-6)

Guidance literature:

With rhodium(II) acetate dimer; water; potassium carbonate; tri tert-butylphosphoniumtetrafluoroborate; In toluene; at 90 ℃; for 4h; Inert atmosphere; Sealed tube;

DOI:10.1039/c8ob01997e

upstream raw materials:

dihydrochalcone

benzene

1-Phenyl-2-propen-1-ol

2-nitrophenyl bromide

Downstream raw materials:

2-phenyl-1,2,3,4-tetrahydroquinoline

3-(2-nitro-phenyl)-1-phenyl-propan-1-ol

2-Phenylquinoline

2-benzylindole