4-Nitro-1,3-diphenylpentan-1-one

Base Information

• Chemical Name: 4-Nitro-1,3-diphenylpentan-1-one
• CAS No.: 6277-76-5
• Molecular Formula: C17H17NO3
• Molecular Weight: 283.327
• NSC Number: 34895
• DSSTox Substance ID: DTXSID30284018
• Nikkaji Number: J2.129.400D
• Mol file: 6277-76-5.mol

Synonyms:4-nitro-1,3-diphenylpentan-1-one;6277-76-5;NSC34895;DTXSID30284018;4-nitro-1,3-diphenyl-1-pentanone;NSC-34895

Chemical Property of 4-Nitro-1,3-diphenylpentan-1-one

Chemical Property:

• Vapor Pressure: 1.66E-08mmHg at 25°C
• Boiling Point: 456.1°C at 760 mmHg
• Flash Point: 212.1°C
• Density: 1.155g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 283.12084340
• Heavy Atom Count: 21
• Complexity: 352

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Nitro-1,3-diphenylpentan-1-one

There total 26 articles about 4-Nitro-1,3-diphenylpentan-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: 96.0%

Nitroethane (79-24-3) + 1,3-diphenyl-propen-3-one (614-47-1) → 4-nitro-1,3-diphenyl-pentan-1-one (6277-76-5)

Guidance literature:

With potassium carbonate; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 30 ℃; for 10h; ultrasonic irradiation;

DOI:10.1055/s-2006-950306

Reference yield: 60.0%

Nitroethane (79-24-3) + benzalacetophenone (94-41-7) → 4-nitro-1,3-diphenyl-pentan-1-one (6277-76-5)

Guidance literature:

With sodium methylate; In methanol; Heating;

DOI:10.1021/jo00189a041

Reference yield:

Nitroethane (79-24-3) + benzalacetophenone (94-41-7) → (3R,4S)-4-nitro-1,3-diphenylpentan-1-one (6277-76-5,77670-28-1,77670-33-8) + (3R,4R)-4-nitro-1,3-diphenylpentan-1-one (6277-76-5,77670-28-1,77670-33-8)

Guidance literature:

With 1-[3,5-bis(trifluoromethyl)phenyl]-3-{(S)[(2S,4S,5R)-5-ethyl-1-aza-bicyclo[2.2.2]oct-2-yl]-(6-methoxy-4-quinolinyl)methyl}thiourea; In toluene; at 20 - 25 ℃; for 2h; under 6750680 Torr; Overall yield = 94 %; Overall yield = 800 mg; enantioselective reaction;

DOI:10.1039/c8ob00561c

upstream raw materials:

ethanol

sodium nitroethane

benzalacetophenone

Nitroethane

Downstream raw materials:

(3aR*,3bS*,8aS*)-3a,8a-Dihydro-6,8a-dimethyl-2,3a,3b,5-tetraphenyl-3H-dipyrrol<1,2-b:3',2'-d>isoxazole-3,4(3bH)-dione-1-Oxide

3,5-diphenyl-2-methyl-1H-pyrrole

2-Methyl-3,5-diphenyl-3,4-dihydro-2H-pyrrol-2-ol

2-Methyl-3,5-diphenyl-3,4-dihydro-2H-pyrrole 1-oxide