1-(2-Fluoroethyl)-3-tricyclo[3.3.1.13,7]dec-1-ylurea

Base Information

• Chemical Name: 1-(2-Fluoroethyl)-3-tricyclo[3.3.1.13,7]dec-1-ylurea
• CAS No.: 14973-23-0
• Molecular Formula: C₁₃H₂₁FN₂O
• Molecular Weight: 240.321
• NSC Number: 93164
• DSSTox Substance ID: DTXSID40293959
• Wikidata: Q82032980
• Mol file: 14973-23-0.mol

Synonyms:14973-23-0;1-(2-fluoroethyl)-3-tricyclo[3.3.1.13,7]dec-1-ylurea;NSC93164;DTXSID40293959;NSC-93164

Chemical Property of 1-(2-Fluoroethyl)-3-tricyclo[3.3.1.13,7]dec-1-ylurea

Chemical Property:

• Vapor Pressure: 4.81E-07mmHg at 25°C
• Boiling Point: 413.4°C at 760 mmHg
• Flash Point: 203.8°C
• Density: 1.16g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 240.16379146
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)NCCF

Technology Process of 1-(2-Fluoroethyl)-3-tricyclo[3.3.1.13,7]dec-1-ylurea

There total 4 articles about 1-(2-Fluoroethyl)-3-tricyclo[3.3.1.13,7]dec-1-ylurea 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-Adamantanamine (768-94-5) → N-Adamantan-1-yl-N'-<2-fluor-aethyl>-harnstoff (14973-23-0)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether

2: NaNO₂, HCO₂H

3: H₂O; acetone / Ambient temperature

With formic acid; sodium nitrite; In diethyl ether; water; acetone;

DOI:10.1021/jm00324a026

Reference yield:

N-(1-Adamantyl)-N'-(β-chlorethyl)-harnstoff (15004-38-3) → N-Adamantan-1-yl-N'-<2-fluor-aethyl>-harnstoff (14973-23-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNO₂, HCO₂H

2: H₂O; acetone / Ambient temperature

With formic acid; sodium nitrite; In water; acetone;

DOI:10.1021/jm00324a026

Reference yield:

2-fluoroethylamine (406-34-8) + C13H20ClN3O2 (14039-10-2) → N-Adamantan-1-yl-N'-<2-fluor-aethyl>-harnstoff (14973-23-0)

Guidance literature:

In water; acetone; Ambient temperature;

DOI:10.1021/jm00324a026

upstream raw materials:

2-fluoroethylamine

C₁₃H₂₀ClN₃O₂

N-<2-Fluor-ethyl>-N'-nitro-harnstoff

amantadine hydrochloride

Downstream raw materials:

C₁₃H₂₀FN₃O₂

Refernces

• 1、 Johnston,McCaleb,Opliger,Montgomery. "The synthesis of potential anticancer agents. XXXVI. N-nitrosoureas. II. Haloalkyl derivatives.". . p. 892 - 911. Retrieved 2007/10/05.