N-(((4-Carboxyphenyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine sodium salt

Base Information

• Chemical Name: N-(((4-Carboxyphenyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine sodium salt
• CAS No.: 78915-40-9
• Molecular Formula: C₁₉H₁₈N₄O₄
• Molecular Weight: 366.376
• Mol file: 78915-40-9.mol

Synonyms:BRN 5796841;N-(((4-Carboxyphenyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine sodium salt;Sydnone imine, N-(((4-carboxyphenyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)-;78915-40-9;C19-H18-N4-O4;LS-148342

Chemical Property of N-(((4-Carboxyphenyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine sodium salt

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 366.13280507
• Heavy Atom Count: 27
• Complexity: 498

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Technology Process of N-(((4-Carboxyphenyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine sodium salt

There total 6 articles about N-(((4-Carboxyphenyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)sydnone imine sodium salt 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:

<(α-methylphenethyl)nitrosoamino>acetonitrile (10242-52-1,78467-89-7) → 5-[3-(4-carboxy-phenyl)-ureido]-3-(1-methyl-2-phenyl-ethyl)-[1,2,3]oxadiazolium betaine (78915-40-9)

Guidance literature:

Multi-step reaction with 2 steps

1: N(C₂H₅)3 / benzene / 3 h / 50 °C

2: o.1 N aq. NaOH / 1 h / Ambient temperature

With sodium hydroxide; triethylamine; In benzene;

DOI:10.1007/BF00765588

Reference yield:

4-<<(trimethylsilyl)oxy>carbonyl>phenyl isocyanate (30354-16-6) → 5-[3-(4-carboxy-phenyl)-ureido]-3-(1-methyl-2-phenyl-ethyl)-[1,2,3]oxadiazolium betaine (78915-40-9)

Guidance literature:

Multi-step reaction with 2 steps

1: N(C₂H₅)3 / benzene / 3 h / 50 °C

2: o.1 N aq. NaOH / 1 h / Ambient temperature

With sodium hydroxide; triethylamine; In benzene;

DOI:10.1007/BF00765588

Reference yield:

N6-Ethoxycarbonylphenyl-3-phenylisopropylsydnonimine (78915-39-6) → 5-[3-(4-carboxy-phenyl)-ureido]-3-(1-methyl-2-phenyl-ethyl)-[1,2,3]oxadiazolium betaine (78915-40-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1007/BF00469945

upstream raw materials:

N₆-Ethoxycarbonylphenyl-3-phenylisopropylsydnonimine

<(α-methylphenethyl)nitrosoamino>acetonitrile

4-<<(trimethylsilyl)oxy>carbonyl>phenyl isocyanate

3-(α-methylphenethyl)sydnone imine hydrochloride

Refernces