1-(5-(tert-Butyl)isoxazol-3-yl)-3-(3-chlorophenyl)urea

Base Information

• Chemical Name: 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(3-chlorophenyl)urea
• CAS No.: 852670-31-6
• Molecular Formula: C₁₄H₁₆ClN₃O₂
• Molecular Weight: 293.753
• ChEMBL ID: CHEMBL3593476
• DSSTox Substance ID: DTXSID40589546
• Nikkaji Number: J3.458.477J
• Wikidata: Q82482983
• Mol file: 852670-31-6.mol

Synonyms:1-(5-(tert-Butyl)isoxazol-3-yl)-3-(3-chlorophenyl)urea;852670-31-6;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-chlorophenyl)urea;3-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-1-(3-CHLOROPHENYL)UREA;CHEMBL3593476;SCHEMBL13234449;DTXSID40589546;STK468849;AKOS003317829;DB-336789;CS-0330899;N-(5-tert-butyl-3-isoxazolyl)-N'-(3-chlorophenyl)urea;N-(5-tert-Butyl-1,2-oxazol-3-yl)-N'-(3-chlorophenyl)urea;N-[5-(TERT-BUTYL)-3-ISOXAZOLYL]-N'-(3-CHLOROPHENYL)UREA

Chemical Property of 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(3-chlorophenyl)urea

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 293.0931045
• Heavy Atom Count: 20
• Complexity: 346

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)Cl

Technology Process of 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(3-chlorophenyl)urea

There total 2 articles about 1-(5-(tert-Butyl)isoxazol-3-yl)-3-(3-chlorophenyl)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: 17.0%

3-amino-5-tert-butylisoxazole (55809-36-4) + m-chlorophenyl isocyanate (2909-38-8) → 1-(5-tert-butylisoxazol-3-yl)-3-(3-chlorophenyl)urea (852670-31-6)

Guidance literature:

In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b00635

Reference yield:

→ 1-(5-tert-butylisoxazol-3-yl)-3-(3-chlorophenyl)urea (852670-31-6)

Guidance literature:

upstream raw materials:

3-amino-5-tert-butylisoxazole

m-chlorophenyl isocyanate