3-Cyclohexyl-1-(2-fluoroethyl)-1-nitrosourea

Base Information

• Chemical Name: 3-Cyclohexyl-1-(2-fluoroethyl)-1-nitrosourea
• CAS No.: 13908-93-5
• Molecular Formula: C₉H₁₆FN₃O₂
• Molecular Weight: 217.243
• Hs Code.: 2924299090
• NSC Number: 87974
• UNII: L42GM59SUT
• DSSTox Substance ID: DTXSID80160898
• Nikkaji Number: J54.433G
• Wikidata: Q83029235
• ChEMBL ID: CHEMBL13072
• Mol file: 13908-93-5.mol

Synonyms:1-(2-fluoroethyl)-3-cyclohexyl-1-nitrosourea;FCNU

Chemical Property of 3-Cyclohexyl-1-(2-fluoroethyl)-1-nitrosourea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 61.77000
• Density: 1.3g/cm³
• LogP: 2.37250
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 217.12265492
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=O)N(CCF)N=O

Technology Process of 3-Cyclohexyl-1-(2-fluoroethyl)-1-nitrosourea

There total 4 articles about 3-Cyclohexyl-1-(2-fluoroethyl)-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:

1-Cyclohexyl-3-(2-fluoro-ethyl)-urea (13907-94-3) → N3-(cyclohexyl)-N1-(2-fluoroethyl)-N1-nitrosourea (13908-93-5)

Guidance literature:

With formic acid; sodium nitrite;

DOI:10.1021/jm00324a026

Reference yield:

cyclohexylamine (108-91-8,157973-60-9) → N3-(cyclohexyl)-N1-(2-fluoroethyl)-N1-nitrosourea (13908-93-5)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / Ambient temperature

2: NaNO₂, HCO₂H / 0.5 h / 0 - 5 °C

With formic acid; sodium nitrite; In diethyl ether;

DOI:10.1021/jo00339a010

Reference yield:

Cyclohexyl isocyanate (3173-53-3) → N3-(cyclohexyl)-N1-(2-fluoroethyl)-N1-nitrosourea (13908-93-5)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / Ambient temperature

2: NaNO₂, HCO₂H / 0.5 h / 0 - 5 °C

With formic acid; sodium nitrite; In diethyl ether;

DOI:10.1021/jo00339a010

upstream raw materials:

1-Cyclohexyl-3-(2-fluoro-ethyl)-urea

cyclohexylamine

Cyclohexyl isocyanate

Refernces

• 1、 Lown,Chauhan. "Synthesis of specifically 15N- and 13C-labeled antitumor (2-haloethyl)nitrosoureas. The study of their conformations in solution by nitrogen-15 and carbon-13 nuclear magnetic resonance and evidence for stereoelectronic control in their aqueous decomposition". . p. 5309 - 5321. Retrieved 2007/10/02.