1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole

Base Information

• Chemical Name: 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole
• CAS No.: 3523-51-1
• Molecular Formula: C₁₁H₁₃N₃
• Molecular Weight: 187.244
• NSC Number: 122349
• DSSTox Substance ID: DTXSID30956662
• Nikkaji Number: J2.744.965D

Synonyms:3523-51-1;NSC122349;NSC 122349;1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole;1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[d][1,2,3]triazole;3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]triazole;DTXSID30956662;NSC-122349

Chemical Property of 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole

Chemical Property:

• Vapor Pressure: 0.00353mmHg at 25°C
• Boiling Point: 281.6°Cat760mmHg
• Flash Point: 124.1°C
• Density: 1.29g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.110947427
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(C1)N(N=N2)C3=CC=CC=C3

Technology Process of 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole

There total 2 articles about 1-Phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta(d)(1,2,3)triazole 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:

cyclopentene (142-29-0) + Phenyl azide (622-37-7) → 1-phenyl-(3ar,6ac)-1,3a,4,5,6,6a-hexahydro-cyclopentatriazole (3523-51-1)

Guidance literature:

Reference yield:

cyclopentene (142-29-0) + Phenyl azide (622-37-7) → 2-Phenyl-2,3,4-triazabicyclo<3.3.0>oct-3-en (3523-51-1)

Guidance literature:

Reference yield:

1-phenyl-(3ar,6ac)-1,3a,4,5,6,6a-hexahydro-cyclopentatriazole (3523-51-1) → N-(cyclopentylidene)aniline (13683-42-6)

Guidance literature:

at 150 ℃;

upstream raw materials:

cyclopentene

Phenyl azide

Downstream raw materials:

N-(cyclopentylidene)aniline

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