1-Allyl-1-nitrosourea

Base Information

• Chemical Name: 1-Allyl-1-nitrosourea
• CAS No.: 760-56-5
• Molecular Formula: C4H7N3O2
• Molecular Weight: 129.118
• NSC Number: 48389
• UNII: LUN8K7WG6J
• DSSTox Substance ID: DTXSID3020049
• Nikkaji Number: J850H
• Wikidata: Q63088094
• Mol file: 760-56-5.mol

Synonyms:1-Allyl-1-nitrosourea;Allylnitrosourea;N-Allyl-N-nitrosourea;760-56-5;Nitrosoallylurea;Urea, 1-allyl-1-nitroso-;Urea, N-nitroso-N-2-propenyl-;N-Nitroso-N-2-propenylurea;CCRIS 3917;NSC 48389;LUN8K7WG6J;BRN 1764887;1-nitroso-1-prop-2-en-1-ylurea;NSC-48389;urea, n-nitroso-n-2-propen-1-yl-;NSC48389;UNII-LUN8K7WG6J;SCHEMBL2731086;DTXSID3020049;AKOS006342039;LS-7182;N-NITROSO-N-2-PROPEN-1-YLUREA;Q63088094

Chemical Property of 1-Allyl-1-nitrosourea

Chemical Property:

• Vapor Pressure: 0.299mmHg at 25°C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 202°Cat760mmHg
• Flash Point: 76°C
• PSA: 75.76000
• Density: 1.25g/cm³
• LogP: 0.93480
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 129.053826475
• Heavy Atom Count: 9
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CCN(C(=O)N)N=O

Technology Process of 1-Allyl-1-nitrosourea

There total 2 articles about 1-Allyl-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:

allylurea (557-11-9) → N-allyl-N-nitrosourea (760-56-5)

Guidance literature:

With sodium perchlorate; sodium nitrite; at 9.9 - 29.9 ℃; Rate constant; Mechanism; Thermodynamic data; ΔH(excit.), -ΔS(excit.); various acids as catalysts (AcOH, ClCH2CO2H, Cl2CHCO2H, Cl3CO2H, HClO4); also primary kinetic isotope effect;

DOI:10.1002/(SICI)1097-4601(1996)28:4<307::AID-KIN9>3.0.CO;2-Z

Reference yield:

→ N-allyl-N-nitrosourea (760-56-5)

Guidance literature:

Reference yield:

N-allyl-N-nitrosourea (760-56-5) → allyl alcohol (107-18-6)

Guidance literature:

With water; In 1,4-dioxane; at 32.5 ℃; for 26.6667h; pH=6.49; Temperature; Kinetics; Thermodynamic data; aq. acetate buffer;

DOI:10.1002/poc.1402

upstream raw materials:

allylurea

Downstream raw materials:

(+/-)-dictyopterene A

cis-Divinylcyclopropan

vinyldiazomethane

NMP-Al

Refernces

• 1、 Alatorre,Zapiain,Quintana,Martinez. "Kinetic study of the nitrosation of N-alkylureas in dioxane-acetic acid mixtures". . p. 145 - 150. Retrieved 2007/10/03.