4-Methyl-1-(1-phenylvinyl)-5-(1-pyrrolidinyl)-4,5-dihydro-1H-1,2,3-triazole

Base Information

• Chemical Name: 4-Methyl-1-(1-phenylvinyl)-5-(1-pyrrolidinyl)-4,5-dihydro-1H-1,2,3-triazole
• CAS No.: 77726-82-0
• Molecular Formula: C₁₅H₂₀N₄
• Molecular Weight: 256.351
• DSSTox Substance ID: DTXSID101138663
• Nikkaji Number: J591.493K
• Mol file: 77726-82-0.mol

Synonyms:4,5-Dihydro-4-methyl-1-(1-phenylethenyl)-5-(1-pyrrolidinyl)-1H-1,2,3-triazole;77726-82-0;4-Methyl-1-(1-phenylvinyl)-5-(1-pyrrolidinyl)-4,5-dihydro-1H-1,2,3-triazole;DTXSID101138663

Chemical Property of 4-Methyl-1-(1-phenylvinyl)-5-(1-pyrrolidinyl)-4,5-dihydro-1H-1,2,3-triazole

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 256.16879665
• Heavy Atom Count: 19
• Complexity: 353

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(N(N=N1)C(=C)C2=CC=CC=C2)N3CCCC3

Technology Process of 4-Methyl-1-(1-phenylvinyl)-5-(1-pyrrolidinyl)-4,5-dihydro-1H-1,2,3-triazole

There total 1 articles about 4-Methyl-1-(1-phenylvinyl)-5-(1-pyrrolidinyl)-4,5-dihydro-1H-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: 64.0%

1-azidostyrene (16717-64-9) + 1-propenyl-pyrrolidine (13937-88-7) → 5-methyl-3-(1-phenylvinyl)-4-(1-pyrrolidinyl)-Δ1-1,2,3-triazoline (77726-82-0)

Guidance literature:

at 0 ℃; for 120h;

DOI:10.1246/bcsj.54.261

Reference yield: 83.0%

5-methyl-3-(1-phenylvinyl)-4-(1-pyrrolidinyl)-Δ1-1,2,3-triazoline (77726-82-0) → 2-methyl-5-phenyl-1H-pyrrole (3042-21-5) + 5-methyl-2-phenyl-4-(1-pyrrolidinyl)-1-pyrroline

Guidance literature:

In dichloromethane; at 0 ℃; for 1.25h; Irradiation;

DOI:10.1246/bcsj.56.533

Reference yield: 83.0%

5-methyl-3-(1-phenylvinyl)-4-(1-pyrrolidinyl)-Δ1-1,2,3-triazoline (77726-82-0) → 2-methyl-5-phenyl-1H-pyrrole (3042-21-5)

Guidance literature:

In dichloromethane; at 0 ℃; for 1.25h; Product distribution; Mechanism; Irradiation; other triazoles; var. solvents;

DOI:10.1246/bcsj.56.533

upstream raw materials:

1-azidostyrene

1-propenyl-pyrrolidine

Downstream raw materials:

2-methyl-5-phenyl-1H-pyrrole