N-t butyloxycarbonyl-4-((4-phenyl)triazol-1-yl)piperidine

Base Information

• Chemical Name: N-t butyloxycarbonyl-4-((4-phenyl)triazol-1-yl)piperidine
• CAS No.: 180695-85-6
• Molecular Formula: C₁₈H₂₄N₄O₂
• Molecular Weight: 328.414
• DSSTox Substance ID: DTXSID501141260
• Nikkaji Number: J2.159.671J
• Mol file: 180695-85-6.mol

Synonyms:KAXFXIWMLUCQCM-UHFFFAOYSA-N;DTXSID501141260;180695-85-6;N-t butyloxycarbonyl-4-((4-phenyl)triazol-1-yl)piperidine;1,1-Dimethylethyl 4-(4-phenyl-1H-1,2,3-triazol-1-yl)-1-piperidinecarboxylate

Chemical Property of N-t butyloxycarbonyl-4-((4-phenyl)triazol-1-yl)piperidine

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 328.18992602
• Heavy Atom Count: 24
• Complexity: 423

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(N=N2)C3=CC=CC=C3

Technology Process of N-t butyloxycarbonyl-4-((4-phenyl)triazol-1-yl)piperidine

There total 1 articles about N-t butyloxycarbonyl-4-((4-phenyl)triazol-1-yl)piperidine 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: 93.0%

phenylacetylene (536-74-3) + tert-butyl 4-azidopiperidine-1-carboxylate (180695-80-1) → tert-butyl 4-(4-phenyl-1H-1,2,3-triazol-1-yl)piperidine-1-carboxylate (180695-85-6)

Guidance literature:

With Cu⁽⁰⁾ nanosize activated; triethylamine hydrochloride; In water; tert-butyl alcohol; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2005.02.127

Reference yield: 100.0%

trifluoroacetic acid (76-05-1) + tert-butyl 4-(4-phenyl-1H-1,2,3-triazol-1-yl)piperidine-1-carboxylate (180695-85-6) → C2HF3O2*C13H16N4 (1229516-68-0)

Guidance literature:

In dichloromethane; Inert atmosphere;

DOI:10.1016/j.bmcl.2010.03.044

Reference yield: 89.0%

tert-butyl 4-(4-phenyl-1H-1,2,3-triazol-1-yl)piperidine-1-carboxylate (180695-85-6) → 4-(4-phenyl-1H-1,2,3-triazol-1-yl)piperidine (852100-82-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2019.112017

upstream raw materials:

phenylacetylene

tert-butyl 4-azidopiperidine-1-carboxylate

Downstream raw materials:

4-(4-phenyl-1H-1,2,3-triazol-1-yl)piperidine

C₂HF₃O₂*C₁₃H₁₆N₄