1H-1,2,4-Triazole, 1-(1-ethoxy-3-phenyl-1,2,5-hexatrien-1-yl)-

Base Information

Chemical Name:1H-1,2,4-Triazole, 1-(1-ethoxy-3-phenyl-1,2,5-hexatrien-1-yl)-
CAS No.:923012-09-3
Molecular Formula:C₁₆H₁₇N₃O
Molecular Weight:267.33
Hs Code.:
DSSTox Substance ID:DTXSID80445819

Synonyms:923012-09-3;1H-1,2,4-Triazole, 1-(1-ethoxy-3-phenyl-1,2,5-hexatrien-1-yl)-;DTXSID80445819

Suppliers and Price of 1H-1,2,4-Triazole, 1-(1-ethoxy-3-phenyl-1,2,5-hexatrien-1-yl)-

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
Packaging
price

Total 0 raw suppliers

Chemical Property of 1H-1,2,4-Triazole, 1-(1-ethoxy-3-phenyl-1,2,5-hexatrien-1-yl)-

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:267.137162174
Heavy Atom Count:20
Complexity:379

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=C=C(CC=C)C1=CC=CC=C1)N2C=NC=N2

Technology Process of 1H-1,2,4-Triazole, 1-(1-ethoxy-3-phenyl-1,2,5-hexatrien-1-yl)-

There total 2 articles about 1H-1,2,4-Triazole, 1-(1-ethoxy-3-phenyl-1,2,5-hexatrien-1-yl)- 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:

: 6142-95-6
phenylpropargyl aldehyde diethyl acetal

: 923012-09-3
1-(1-Ethoxy-3-phenyl-hexa-1,2,5-trienyl)-1H-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / toluene / 30 h / Heating

2: 1.) n-BuLi / 1.) THF, cyclohexane, -78 deg C, 5 min, 2.) THF, cyclohexane, -78 deg C

With n-butyllithium; In toluene;
DOI:10.1021/jo961397l

Reference yield:

: 106-95-6
allyl bromide

: 183614-20-2
1-(1,2,4-triazol-1-yl)-3-phenylpropargyl ethyl ether

: 923012-09-3
1-(1-Ethoxy-3-phenyl-hexa-1,2,5-trienyl)-1H-[1,2,4]triazole

Guidance literature:: With n-butyllithium; Multistep reaction; 1.) THF, cyclohexane, -78 deg C, 5 min, 2.) THF, cyclohexane, -78 deg C;
DOI:10.1021/jo961397l

Reference yield:

: 923012-09-3
1-(1-Ethoxy-3-phenyl-hexa-1,2,5-trienyl)-1H-[1,2,4]triazole

: (Z)-3-Phenyl-hexa-2,5-dienoic acid ethyl ester

: 183614-26-8
ethyl (2E)-3-phenylhexa-2,5-dienoate

Guidance literature:: With hydrogenchloride; In ethanol; for 2h; Yield given. Yields of byproduct given; Ambient temperature;
DOI:10.1021/jo961397l