1-(2-Chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea

Base Information

• Chemical Name: 1-(2-Chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
• CAS No.: 13908-56-0
• Molecular Formula: C13H17ClN2O
• Molecular Weight: 252.7399
• NSC Number: 98651
• DSSTox Substance ID: DTXSID20294904
• Wikidata: Q82034516
• ChEMBL ID: CHEMBL476546
• Mol file: 13908-56-0.mol

Synonyms:13908-56-0;1-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea;NSC98651;CHEMBL476546;DTXSID20294904;NSC-98651;Urea, 1-(2-chloroethyl)-3-(5,6,7,8-tetrahydro-2-naphthyl)-

Chemical Property of 1-(2-Chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea

Chemical Property:

• Vapor Pressure: 8.91E-06mmHg at 25°C
• Boiling Point: 373.5°C at 760 mmHg
• Flash Point: 179.7°C
• Density: 1.226g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 252.1029409
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC(=C2)NC(=O)NCCCl

Technology Process of 1-(2-Chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea

There total 1 articles about 1-(2-Chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)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: 15.0%

2-chloroethyl isothiocyanate (1943-83-5) + 6-amino-1,2,3,4-tetrahydronaphthalene (2217-43-8) → 1-(2-chloroethyl)-3-(5,6,7,8-tetrahydro-2-naphthyl)-urea (13908-56-0)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmc.2008.06.028

Reference yield:

1-(2-chloroethyl)-3-(5,6,7,8-tetrahydro-2-naphthyl)-urea (13908-56-0) → C13H16ClN3O2 (13909-32-5)

Guidance literature:

With formic acid; sodium nitrite;

DOI:10.1021/jm00324a026

upstream raw materials:

2-chloroethyl isothiocyanate

6-amino-1,2,3,4-tetrahydronaphthalene

Downstream raw materials:

C₁₃H₁₆ClN₃O₂

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