(1-Diphenylphosphoryl-2-nitroethyl)benzene

Base Information

• Chemical Name: (1-Diphenylphosphoryl-2-nitroethyl)benzene
• CAS No.: 49749-89-5
• Molecular Formula: C20H18NO3P
• Molecular Weight: 351.342
• DSSTox Substance ID: DTXSID40394834
• Nikkaji Number: J2.702.542K
• ChEMBL ID: CHEMBL1605988
• Mol file: 49749-89-5.mol

Synonyms:MLS001198377;SMR000559168;(2-nitro-1-phenylethyl)(diphenyl)phosphine oxide;(1-diphenylphosphoryl-2-nitroethyl)benzene;HMS661M13;49749-89-5;ST4050294;ChemDiv1_026325;Oprea1_403273;CHEMBL1605988;SCHEMBL14583928;SCHEMBL14584230;BDBM65622;cid_3666533;DTXSID40394834;HMS2873J13;STK675941;AKOS001724933;(1-diphenylphosphoryl-2-nitro-ethyl)benzene;EU-0052293;(2-nitro-1-phenylethyl)(diphenyl)phosphane oxide;Diphenyl[alpha-(nitromethyl)benzyl]phosphine oxide

Chemical Property of (1-Diphenylphosphoryl-2-nitroethyl)benzene

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 351.10243043
• Heavy Atom Count: 25
• Complexity: 450

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(C[N+](=O)[O-])P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of (1-Diphenylphosphoryl-2-nitroethyl)benzene

There total 8 articles about (1-Diphenylphosphoryl-2-nitroethyl)benzene 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%

nitrostyrene (5153-67-3) + diphenylphosphane (829-85-6) → (2-nitro-1-phenylethyl)diphenylphosphine oxide (49749-89-5)

Guidance literature:

diphenylphosphane; With C₂₄H₂₇ClN₄Ni; sodium acetate; at -20 ℃; for 0.5h;

nitrostyrene; at -20 ℃; for 12h;

With dihydrogen peroxide; In water; at 20 ℃; for 2h; Reagent/catalyst; Solvent; Temperature; Catalytic behavior;

DOI:10.1002/aoc.5954

Reference yield: 95.0%

(2-nitroethenyl)benzene (102-96-5) + Diphenylphosphine oxide (4559-70-0) → (2-nitro-1-phenylethyl)diphenylphosphine oxide (49749-89-5)

Guidance literature:

With (1S,2S)-1,2-Cy[NC(Me)CHC(Me)N(2,6-Et₂C₆H₃)]₂YN(SiMe₃)₂; In toluene; at 20 ℃; for 6h; Reagent/catalyst; Solvent; Temperature; regioselective reaction; Catalytic behavior; Schlenk technique; Inert atmosphere;

DOI:10.1039/c7ra07565k

Reference yield: 95.0%

nitrostyrene (5153-67-3) + Diphenylphosphine oxide (4559-70-0) → (2-nitro-1-phenylethyl)diphenylphosphine oxide (49749-89-5)

Guidance literature:

With η¹:η¹-[η¹:η¹-2-(2,6-ⁱPr₂C₆H₃)N=CH-8-OC₉H₆N]₂LiYb[N(TMS)₂]₂; In tetrahydrofuran; at 20 ℃; for 6h; Reagent/catalyst; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1039/c5nj00409h

upstream raw materials:

(2-nitroethenyl)benzene

diphenylphosphine oxide

Diphenylphosphine oxide

nitrostyrene

Downstream raw materials:

2-(diphenylphosphinyl)-2-phenyl-ethenol