1-Isopropyl-1-nitroso-3-phenylurea

Base Information

• Chemical Name: 1-Isopropyl-1-nitroso-3-phenylurea
• CAS No.: 78326-57-5
• Molecular Formula: C10H13 N3 O2
• Molecular Weight: 207.23
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20228981
• Nikkaji Number: J1.587.569K
• Wikidata: Q83109110
• Mol file: 78326-57-5.mol

Synonyms:78326-57-5;Urea, N-(1-methylethyl)-N-nitroso-N'-phenyl-;1-Isopropyl-1-nitroso-3-phenylurea;DTXSID20228981

Chemical Property of 1-Isopropyl-1-nitroso-3-phenylurea

Chemical Property:

• PSA: 65.26000
• Density: 1.16g/cm³
• LogP: 2.62390
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 207.100776666
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(C(=O)NC1=CC=CC=C1)N=O

Technology Process of 1-Isopropyl-1-nitroso-3-phenylurea

There total 2 articles about 1-Isopropyl-1-nitroso-3-phenylurea 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: 78.0%

1-phenyl-3-i-propylurea (19895-44-4) → C10H13N3O2 (78326-57-5)

Guidance literature:

With sodium nitrite; In formic acid; at 0 - 5 ℃; for 0.5h;

Reference yield:

aniline (62-53-3) → C10H13N3O2 (78326-57-5)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / -5 °C

2: 78 percent / sodium nitrite / formic acid / 0.5 h / 0 - 5 °C

With sodium nitrite; In formic acid; diethyl ether;

upstream raw materials:

1-phenyl-3-i-propylurea

aniline

Refernces