(E)-N-[4-benzylsulfanyl-2-(4-nitrophenyl)-1,3-oxazol-5-yl]-1-(4-nitrophenyl)methanimine

Base Information

• Chemical Name: (E)-N-[4-benzylsulfanyl-2-(4-nitrophenyl)-1,3-oxazol-5-yl]-1-(4-nitrophenyl)methanimine
• CAS No.: 31666-16-7
• Molecular Formula: C₂₃H₁₆N₄O₅S
• Molecular Weight: 460.47
• NSC Number: 177922
• Mol file: 31666-16-7.mol

Synonyms:NSC177922;NSC-177922;31666-16-7

Chemical Property of (E)-N-[4-benzylsulfanyl-2-(4-nitrophenyl)-1,3-oxazol-5-yl]-1-(4-nitrophenyl)methanimine

Chemical Property:

• Vapor Pressure: 1.4E-18mmHg at 25°C
• Boiling Point: 698.9°C at 760 mmHg
• Flash Point: 376.5°C
• Density: 1.39g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 460.08414080
• Heavy Atom Count: 33
• Complexity: 677

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC2=C(OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])N=CC4=CC=C(C=C4)[N+](=O)[O-]
• Isomeric SMILES: C1=CC=C(C=C1)CSC2=C(OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])/N=C/C4=CC=C(C=C4)[N+](=O)[O-]

Technology Process of (E)-N-[4-benzylsulfanyl-2-(4-nitrophenyl)-1,3-oxazol-5-yl]-1-(4-nitrophenyl)methanimine

There total 1 articles about (E)-N-[4-benzylsulfanyl-2-(4-nitrophenyl)-1,3-oxazol-5-yl]-1-(4-nitrophenyl)methanimine 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:

dithiooxalodiimidic acid dibenzyl ester (13452-18-1) + 4-nitrobenzaldehdye (555-16-8) → [4-benzylsulfanyl-2-(4-nitro-phenyl)-oxazol-5-yl]-(4-nitro-benzylidene)-amine (31666-16-7)

Guidance literature:

at 100 ℃; for 1.5h;

DOI:10.1021/jm00287a026

Reference yield:

[4-benzylsulfanyl-2-(4-nitro-phenyl)-oxazol-5-yl]-(4-nitro-benzylidene)-amine (31666-16-7) → α-(4-Nitro-benzoylamino)-α-benzylmercapto-acetamid (13452-20-5)

Guidance literature:

With hydrogenchloride; In acetone; Heating;

DOI:10.1021/jm00287a026

upstream raw materials:

dithiooxalodiimidic acid dibenzyl ester

4-nitrobenzaldehdye

Downstream raw materials:

α-(4-Nitro-benzoylamino)-α-benzylmercapto-acetamid

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