2-(4-Nitrophenyl)-3-phenyloxirane

Base Information

• Chemical Name: 2-(4-Nitrophenyl)-3-phenyloxirane
• CAS No.: 4336-57-6
• Molecular Formula: C14H11NO3
• Molecular Weight: 241.246
• NSC Number: 144624
• DSSTox Substance ID: DTXSID40962996
• Nikkaji Number: J1.969.845I
• Mol file: 4336-57-6.mol

Synonyms:2-(4-Nitrophenyl)-3-phenyloxirane;4336-57-6;2-Phenyl-3-(4-nitrophenyl)-oxirane;p-nitrophenyl styrene oxide;SCHEMBL2934676;DTXSID40962996;YUZKNYLREGXARL-UHFFFAOYSA-N;Bibenzyl,.alpha.'-epoxy-4-nitro-;NSC144624;2-(4-Nitrophenyl)-3-phenyloxirane #;NSC-144624

Chemical Property of 2-(4-Nitrophenyl)-3-phenyloxirane

Chemical Property:

• Vapor Pressure: 6.83E-06mmHg at 25°C
• Boiling Point: 388.5°Cat760mmHg
• Flash Point: 175.5°C
• Density: 1.307g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.07389321
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 2-(4-Nitrophenyl)-3-phenyloxirane

There total 66 articles about 2-(4-Nitrophenyl)-3-phenyloxirane 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%

4-nitrobenzaldehdye (555-16-8) + sodium 2-benzylidene-1-tosylhydrazin-1-ide (27992-27-4,40154-38-9) → trans-2-(4-nitrophenyl)-3-phenyloxirane (4336-57-6,14802-06-3,14985-26-3,38201-15-9,58976-67-3,62137-67-1,66701-20-0,66701-21-1,70332-48-8)

Guidance literature:

With thiophene; dirhodium tetraacetate; N-benzyl-N,N,N-triethylammonium chloride; In acetonitrile; at 40 ℃; for 3h;

DOI:10.1002/1521-3773(20010417)40:8<1430::AID-ANIE1430>3.0.CO;2-W

Reference yield: 91.0%

1-(4-nitrobenzyl)-tetrahydrothiophenium bromide (41570-69-8) + benzaldehyde (100-52-7) → trans-2-(4-nitrophenyl)-3-phenyloxirane (4336-57-6,14802-06-3,14985-26-3,38201-15-9,58976-67-3,62137-67-1,66701-20-0,66701-21-1,70332-48-8)

Guidance literature:

With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; In dichloromethane; at 20 ℃;

DOI:10.1055/s-0029-1219359

Reference yield: 89.0%

phenyldiazomethane (908094-04-2) + 4-nitrobenzaldehdye (555-16-8) → trans-2-(4-nitrophenyl)-3-phenyloxirane (4336-57-6,14802-06-3,14985-26-3,38201-15-9,58976-67-3,62137-67-1,66701-20-0,66701-21-1,70332-48-8)

Guidance literature:

With dirhodium tetraacetate; dimethylsulfide; In dichloromethane; for 24h;

upstream raw materials:

4-nitrobenzaldehdye

benzyldibutyltelluronium bromide

2-phenyl-5-(4-nitrophenyl)-1,3-dioxolan-4-one

4-nitrostilbene

Downstream raw materials:

p-nitrodeoxybenzoin

2-(4-nitrophenyl)-2-phenylacetaldehyde

cis-2-(4-nitrophenyl)-3-phenyl oxirane

threo-1-(p-Nitrophenyl)-2-phenylethandiol