4-allyl-3-methyl-5-phenyl-4H-1,2,4-triazole

Base Information

Chemical Name:4-allyl-3-methyl-5-phenyl-4H-1,2,4-triazole
CAS No.:160455-78-7
Molecular Formula:C₁₂H₁₃N₃
Molecular Weight:199.255
Hs Code.:
DSSTox Substance ID:DTXSID50437483
Wikidata:Q82252980
Mol file:160455-78-7.mol

Synonyms:160455-78-7;4-allyl-3-methyl-5-phenyl-4H-1,2,4-triazole;4H-1,2,4-Triazole, 3-methyl-5-phenyl-4-(2-propenyl)-;DTXSID50437483;4-allyl-3-methyl-5-phenyl-4H-[1,2,4]triazole

Suppliers and Price of 4-allyl-3-methyl-5-phenyl-4H-1,2,4-triazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 4-allyl-3-methyl-5-phenyl-4H-1,2,4-triazole

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:199.110947427
Heavy Atom Count:15
Complexity:211

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN=C(N1CC=C)C2=CC=CC=C2

Technology Process of 4-allyl-3-methyl-5-phenyl-4H-1,2,4-triazole

There total 3 articles about 4-allyl-3-methyl-5-phenyl-4H-1,2,4-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: 58.0%

: 4046-03-1
2-methyl-5-phenyl-[1,3,4]oxadiazole

: 107-11-9,30551-89-4
1-amino-2-propene

: 160455-78-7
4-allyl-3-methyl-5-phenyl-4H-1,2,4-triazole

Guidance literature:: at 150 ℃; for 288h;

Reference yield:

: 613-94-5
benzoic acid hydrazide

: 160455-78-7
4-allyl-3-methyl-5-phenyl-4H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 3 steps

1: 74 percent / triethylamine / tetrahydrofuran / 3 h / Heating

2: 83 percent / P₂O₅ / 22 h / 110 °C

3: 58 percent / 288 h / 150 °C

With phosphorus pentoxide; triethylamine; In tetrahydrofuran;

Reference yield:

: 14331-27-2
1-acetyl-2-benzoylhydrazine

: 160455-78-7
4-allyl-3-methyl-5-phenyl-4H-1,2,4-triazole

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / P₂O₅ / 22 h / 110 °C

2: 58 percent / 288 h / 150 °C

With phosphorus pentoxide;