N-((p-((2-(Diethylamino)ethoxy)carbonyl)phenyl)carbamoyl)-3-(phenylisopropyl)sidnone imine

Base Information

• Chemical Name: N-((p-((2-(Diethylamino)ethoxy)carbonyl)phenyl)carbamoyl)-3-(phenylisopropyl)sidnone imine
• CAS No.: 117038-04-7
• Molecular Formula: C25H31 N5 O4
• Molecular Weight: 465.5447

Synonyms:BRN 5676758;N-((p-((2-(Diethylamino)ethoxy)carbonyl)phenyl)carbamoyl)-3-(phenylisopropyl)sidnone imine;Sydnone imine, N-(((4-((2-(diethylamino)ethoxy)carbonyl)phenyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)-;117038-04-7;SCHEMBL9542315;LS-148359

Chemical Property of N-((p-((2-(Diethylamino)ethoxy)carbonyl)phenyl)carbamoyl)-3-(phenylisopropyl)sidnone imine

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 465.23760449
• Heavy Atom Count: 34
• Complexity: 631

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=NC2=C[N+](=NO2)C(C)CC3=CC=CC=C3)[O-]
• Isomeric SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N/C(=N/C2=C[N+](=NO2)C(C)CC3=CC=CC=C3)/[O-]

Technology Process of N-((p-((2-(Diethylamino)ethoxy)carbonyl)phenyl)carbamoyl)-3-(phenylisopropyl)sidnone imine

There total 1 articles about N-((p-((2-(Diethylamino)ethoxy)carbonyl)phenyl)carbamoyl)-3-(phenylisopropyl)sidnone imine 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: 65.3%

<(α-methylphenethyl)nitrosoamino>acetonitrile (10242-52-1,78467-89-7) + 4-(2-Diethylaminoethoxycarbonyl)phenylisocyanate (76064-22-7) → N6-<4-(2-Diethylaminoethoxycarbonyl)phenylcarbamoyl>-3-phenylisopropylsydnone imine (117038-04-7)

Guidance literature:

With triethylamine; In benzene; at 50 ℃; for 3h;

DOI:10.1007/BF01151177

upstream raw materials:

<(α-methylphenethyl)nitrosoamino>acetonitrile

4-(2-Diethylaminoethoxycarbonyl)phenylisocyanate

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