2-Methyl-2-nitro-3-phenyloxirane

Base Information

• Chemical Name: 2-Methyl-2-nitro-3-phenyloxirane
• CAS No.: 22596-45-8
• Molecular Formula: C9H9NO3
• Molecular Weight: 179.175
• DSSTox Substance ID: DTXSID10446773
• Nikkaji Number: J920.709K
• Mol file: 22596-45-8.mol

Synonyms:2-Methyl-2-nitro-3-phenyloxirane;22596-45-8;Oxirane, 2-methyl-2-nitro-3-phenyl-;SCHEMBL11742745;DTXSID10446773;2-nitro-3-phenyl-2,3-epoxypropane

Chemical Property of 2-Methyl-2-nitro-3-phenyloxirane

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.058243149
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(O1)C2=CC=CC=C2)[N+](=O)[O-]

Technology Process of 2-Methyl-2-nitro-3-phenyloxirane

There total 25 articles about 2-Methyl-2-nitro-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: 95.0%

1-phenyl-2-nitroprop-1-ene (705-60-2,18315-84-9,58321-79-2) → 2-methyl-2-nitro-3-phenyloxirane (22596-45-8)

Guidance literature:

With tert.-butylhydroperoxide; n-butyllithium; In tetrahydrofuran; hexane; toluene; at -20 ℃; for 1.5h;

DOI:10.1055/s-1988-27523

Reference yield: 82.0%

(2-nitroprop-1-enyl)benzene (705-60-2) → trans-2-methyl-2-nitro-3-phenyloxirane (22596-45-8,39159-19-8,61841-00-7,68498-15-7,87162-61-6,134964-65-1)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In methanol; at 0 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/jo400501k

Reference yield: 81.0%

(2-nitroprop-1-enyl)benzene (705-60-2) → 2-methyl-2-nitro-3-phenyloxirane (22596-45-8)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In diethyl ether; water;

DOI:10.1002/chem.202100372

upstream raw materials:

1-phenyl-2-nitroprop-1-ene

(2-nitroprop-1-enyl)benzene

benzaldehyde

trans-2-methyl-2-nitro-3-phenyloxirane

Downstream raw materials:

1-(N-Ethylamino)-1-phenyl-propanon

1-dimethylamino-1-phenyl-acetone

1-phenoxy-1-phenylpropan-2-one

1-phenyl-1-(phenylthio)-2-propenone