1-Ethyl-1-nitrosourea

Base Information

• Chemical Name: 1-Ethyl-1-nitrosourea
• CAS No.: 759-73-9
• Deprecated CAS: 2151-05-5
• Molecular Formula: C3H7 N3 O2
• Molecular Weight: 117.107
• Hs Code.: 2924199090
• European Community (EC) Number: 212-072-2
• NSC Number: 45403
• UN Number: 2811,3077
• UNII: P8M1T4190R
• DSSTox Substance ID: DTXSID8020593
• Nikkaji Number: J3.321I
• Wikipedia: ENU
• Wikidata: Q287629
• NCI Thesaurus Code: C26563
• Metabolomics Workbench ID: 53930
• ChEMBL ID: CHEMBL167667
• Mol file: 759-73-9.mol

Synonyms:Ethylnitrosourea;N Ethyl N nitrosourea;N-Ethyl-N-nitrosourea;Nitrosoethylurea

Chemical Property of 1-Ethyl-1-nitrosourea

Chemical Property:

• Vapor Pressure: 0.835mmHg at 25°C
• Melting Point: 103-1040C (dec)
• Refractive Index: 1.4900 (estimate)
• Boiling Point: 182℃
• PKA: 12.32±0.50(Predicted)
• Flash Point: 64℃
• PSA: 75.76000
• Density: 1.35
• LogP: 0.76870
• Storage Temp.: −20°C
• Water Solubility.: 12.83g/L(room temperature)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 117.053826475
• Heavy Atom Count: 8
• Complexity: 103
• Transport DOT Label: Poison

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Nitroso-N-ethylUrea,Contains40%water,1.8%AcOH ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 45-46-61-20/21/22
• Safety Statements: 53-22-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CCN(C(=O)N)N=O
• Uses: N-Nitroso-N-ethylurea has been used as a mutation-inducing agent. A precursor of Diazoethane Experimentally as mutagen; ethylating agent.

Technology Process of 1-Ethyl-1-nitrosourea

There total 5 articles about 1-Ethyl-1-nitrosourea 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: 37.0%

N-Ethylurea (625-52-5) → N-Ethyl-N-nitrosourea (759-73-9)

Guidance literature:

With sulfuric acid; sodium nitrite; In water; cooling;

DOI:10.1021/jo01293a023

Reference yield:

ethylamine (75-04-7,85404-22-4) + urea (57-13-6) → N-Ethyl-N-nitrosourea (759-73-9)

Guidance literature:

ethylamine; urea; With hydrogenchloride; In water; at 0 ℃; for 3h; Reflux;

With sulfuric acid; sodium nitrite; In water; at 0 - 20 ℃;

DOI:10.1016/j.tet.2012.10.083

Reference yield:

Ethylnitrosocyanamid (38434-77-4) → N-Ethyl-N-nitrosourea (759-73-9)

Guidance literature:

With sulfuric acid; In dichloromethane;

DOI:10.1021/jo00947a016

upstream raw materials:

N-Ethylurea

Ethylnitrosocyanamid

cis-nitrous acid

ethylamine

Downstream raw materials:

Diazoethan

ethene

Rh₂(CO)2(NCO)2(P(C₆H₅)2CH₂P(C₆H₅)2)2

ethanol

Refernces

• 1、 Foley, David A.,O'Leary, Patrick,Buckley, N. Rachael,Lawrence, Simon E.,Maguire, Anita R.. "Synthetic approaches to the daucane sesquiterpene derivatives employing the intramolecular Buchner cyclisation of α-diazoketones". . p. 1778 - 1794. Retrieved 2013/03/13.
• 2、 Alatorre,Zapiain,Quintana,Martinez. "Kinetic study of the nitrosation of N-alkylureas in dioxane-acetic acid mixtures". . p. 145 - 150. Retrieved 2007/10/03.