Ethyl (2E)-3-phenyl-2-[(1H-1,2,4-triazol-1-yl)methyl]prop-2-enoate

Base Information

Chemical Name:Ethyl (2E)-3-phenyl-2-[(1H-1,2,4-triazol-1-yl)methyl]prop-2-enoate
CAS No.:1082208-29-4
Molecular Formula:C₁₄H₁₅N₃O₂
Molecular Weight:257.292
Hs Code.:
DSSTox Substance ID:DTXSID70704922
Wikidata:Q82637506

Synonyms:1082208-29-4;DTXSID70704922;Ethyl (2E)-3-phenyl-2-[(1H-1,2,4-triazol-1-yl)methyl]prop-2-enoate

Suppliers and Price of Ethyl (2E)-3-phenyl-2-[(1H-1,2,4-triazol-1-yl)methyl]prop-2-enoate

Supply Marketing:

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

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Chemical Property of Ethyl (2E)-3-phenyl-2-[(1H-1,2,4-triazol-1-yl)methyl]prop-2-enoate

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:257.116426730
Heavy Atom Count:19
Complexity:325

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(=CC1=CC=CC=C1)CN2C=NC=N2
Isomeric SMILES:CCOC(=O)/C(=C/C1=CC=CC=C1)/CN2C=NC=N2

Technology Process of Ethyl (2E)-3-phenyl-2-[(1H-1,2,4-triazol-1-yl)methyl]prop-2-enoate

There total 3 articles about Ethyl (2E)-3-phenyl-2-[(1H-1,2,4-triazol-1-yl)methyl]prop-2-enoate 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: 86.0%

: 288-88-0
1,2,4-Triazole

: 105479-98-9
ethyl 2-(acetoxy(phenyl)methyl)acrylate

: 1082208-29-4
ethyl (E)-2-((1H-1,2,4-triazol-1-yl)methyl)-3-phenylacrylate

Guidance literature:: With triethylamine; at 20 ℃; for 0.25h;
DOI:10.1080/00397910802136623

Reference yield: 44.0%

: ethyl 2-(diethoxyphosphoryl)-3-(1H-1,2,4-triazol-1-yl)propanoate

: 100-52-7
benzaldehyde

: 1082208-29-4
ethyl (E)-2-((1H-1,2,4-triazol-1-yl)methyl)-3-phenylacrylate

Guidance literature:: ethyl 2-(diethoxyphosphoryl)-3-(1H-1,2,4-triazol-1-yl)propanoate; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

benzaldehyde; In tetrahydrofuran; at 20 ℃; Inert atmosphere;
DOI:10.1080/14756366.2018.1518959

Reference yield:

: 20345-61-3
ethyl 2-diethoxyphosphinoylacrylate

: 1082208-29-4
ethyl (E)-2-((1H-1,2,4-triazol-1-yl)methyl)-3-phenylacrylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: triethylamine / 0.25 h / 20 °C

2.1: potassium tert-butylate / tetrahydrofuran / 0.5 h / 0 °C / Inert atmosphere

2.2: 20 °C / Inert atmosphere

With potassium tert-butylate; triethylamine; In tetrahydrofuran; 2.1: |Horner-Wadsworth-Emmons Olefination / 2.2: |Horner-Wadsworth-Emmons Olefination;
DOI:10.1080/14756366.2018.1518959