5-(3,7-Dimethylocta-1,6-dien-3-ylsulfanyl)-1-phenyltetrazole

Base Information

• Chemical Name: 5-(3,7-Dimethylocta-1,6-dien-3-ylsulfanyl)-1-phenyltetrazole
• CAS No.: 119793-71-4
• Molecular Formula: C₁₇H₂₂N₄S
• Molecular Weight: 314.454
• DSSTox Substance ID: DTXSID401162831
• Nikkaji Number: J345.693E
• Mol file: 119793-71-4.mol

Synonyms:DTXSID401162831;119793-71-4;5-[(1-Ethenyl-1,5-dimethyl-4-hexen-1-yl)thio]-1-phenyl-1H-tetrazole

Chemical Property of 5-(3,7-Dimethylocta-1,6-dien-3-ylsulfanyl)-1-phenyltetrazole

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 314.15651789
• Heavy Atom Count: 22
• Complexity: 388

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCCC(C)(C=C)SC1=NN=NN1C2=CC=CC=C2)C

Technology Process of 5-(3,7-Dimethylocta-1,6-dien-3-ylsulfanyl)-1-phenyltetrazole

There total 1 articles about 5-(3,7-Dimethylocta-1,6-dien-3-ylsulfanyl)-1-phenyltetrazole 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:

3,7-dimethylocta-1,6-dien-3-ol (78-70-6) + S,S-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate (32276-00-9) → 5-(1,5-dimethyl-1-vinyl-4-hexenylthio)-1-phenyl-1H-tetrazole (119793-71-4) + 5-(3,7-dimethyl-2,6-octadienylthio)-1-phenyl-1H-tetrazole (122322-97-8)

Guidance literature:

With dmap; In acetone; for 1h; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.1016/S0040-4039(00)80428-1

upstream raw materials:

3,7-dimethylocta-1,6-dien-3-ol

S,S-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate