N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide

Base Information

• Chemical Name: N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
• CAS No.: 160856-96-2
• Molecular Formula: C₁₁H₉N₃O₄
• Molecular Weight: 247.21
• DSSTox Substance ID: DTXSID601267398
• Nikkaji Number: J1.127.340H
• Mol file: 160856-96-2.mol

Synonyms:CBMicro_015686;Cambridge id 6117688;N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide;Oprea1_513650;DTXSID601267398;STK416984;AKOS003269415;BIM-0015831.P001;N-(5-Methyl-3-isoxazolyl)-2-nitrobenzamide;N-(5-Methylisoxazole-3-yl)-2-nitrobenzamide;SR-01000228145;SR-01000228145-1;160856-96-2

Chemical Property of N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 247.05930578
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NO1)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Technology Process of N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide

There total 2 articles about N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide 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: 43.0%

5-methylisoxazol-3-ylamine (1072-67-9) + 2-nitrobenzyl chloride (610-14-0) → N-(5-methylisoxazol-3-yl)-2-nitrobenzamide (160856-96-2)

Guidance literature:

In chloroform;

DOI:10.1016/S0014-827X(98)00108-6

Reference yield:

(5-Methyl-isoxazol-3-yl)-[1-(2-nitro-phenyl)-meth-(E)-ylidene]-amine → N-(5-methylisoxazol-3-yl)-2-nitrobenzamide (160856-96-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; at 5 - 10 ℃; for 1.5h; Yield given;

Reference yield: 90.0%

N-(5-methylisoxazol-3-yl)-2-nitrobenzamide (160856-96-2) → N-(5-methylisoxazol-3-yl)-2-aminobenzamide (229978-36-3)

Guidance literature:

With hydrogenchloride; water; tin(ll) chloride;

DOI:10.1016/S0014-827X(98)00108-6

upstream raw materials:

5-methylisoxazol-3-ylamine

2-nitrobenzyl chloride

Downstream raw materials:

N-(5-methylisoxazol-3-yl)-2-aminobenzamide

N-(5-methylisoxazol-3-yl)-2-iodobenzamide