1-(4,4-Dimethylcyclohexyl)-3-(2-fluoroethyl)urea

Base Information

• Chemical Name: 1-(4,4-Dimethylcyclohexyl)-3-(2-fluoroethyl)urea
• CAS No.: 33021-79-3
• Molecular Formula: C₁₁H₂₁FN₂O
• Molecular Weight: 216.299
• NSC Number: 129975
• DSSTox Substance ID: DTXSID00299391
• Wikidata: Q82041772

Synonyms:33021-79-3;1-(4,4-dimethylcyclohexyl)-3-(2-fluoroethyl)urea;NSC129975;DTXSID00299391;NSC-129975

Chemical Property of 1-(4,4-Dimethylcyclohexyl)-3-(2-fluoroethyl)urea

Chemical Property:

• Vapor Pressure: 2.63E-05mmHg at 25°C
• Boiling Point: 358°Cat760mmHg
• Flash Point: 170.3°C
• Density: 1.02g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 216.16379146
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(CC1)NC(=O)NCCF)C

Technology Process of 1-(4,4-Dimethylcyclohexyl)-3-(2-fluoroethyl)urea

There total 2 articles about 1-(4,4-Dimethylcyclohexyl)-3-(2-fluoroethyl)urea 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:

4,4-dimethylcyclohexan-1-one oxime (4701-96-6) → N-<2-Fluor-aethyl>-N'-<4,4-dimethyl-cyclohexyl>-harnstoff (33021-79-3)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Raney-Ni

2: Et₃N

With hydrogen; triethylamine; nickel;

DOI:10.1021/jm00289a011

Reference yield:

4,4-dimethyl-1-cyclohexylamine (20615-18-3) + 3-(2-Fluorethyl)-1-methyl-1-nitrosourea (13908-88-8) → N-<2-Fluor-aethyl>-N'-<4,4-dimethyl-cyclohexyl>-harnstoff (33021-79-3)

Guidance literature:

With triethylamine;

DOI:10.1021/jm00289a011

Reference yield:

N-<2-Fluor-aethyl>-N'-<4,4-dimethyl-cyclohexyl>-harnstoff (33021-79-3) → N'-(4,4-Dimethyl-cyclohexyl)-N-(2-fluor-aethyl)-N-nitroso-harnstoff (33024-39-4)

Guidance literature:

With sodium nitrite; In formic acid;

DOI:10.1021/jm00289a011

upstream raw materials:

4,4-dimethyl-1-cyclohexylamine

3-(2-Fluorethyl)-1-methyl-1-nitrosourea

4,4-dimethylcyclohexan-1-one oxime

Downstream raw materials:

N'-(4,4-Dimethyl-cyclohexyl)-N-(2-fluor-aethyl)-N-nitroso-harnstoff

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