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

Base Information

Chemical Name:Methyl (2E)-3-(4-fluorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]prop-2-enoate
CAS No.:1082208-20-5
Molecular Formula:C₁₃H₁₂FN₃O₂
Molecular Weight:261.256
Hs Code.:
DSSTox Substance ID:DTXSID10704926
Nikkaji Number:J2.667.052G
Wikidata:Q82637512

Synonyms:DTXSID10704926;1082208-20-5;(E)-2-[(1H-1,2,4-Triazole-1-yl)methyl]-3-(4-fluorophenyl)acrylic acid methyl ester;Methyl (2E)-3-(4-fluorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]prop-2-enoate

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

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:261.09135480
Heavy Atom Count:19
Complexity:341

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

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

There total 2 articles about Methyl (2E)-3-(4-fluorophenyl)-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: 85.0%

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

: 265299-13-6
methyl 2-(acetoxy(4-fluorophenyl)methyl)acrylate

: 1082208-20-5
methyl (E)-2-((1H-1,2,4-triazol-1-yl)methyl)-3-(4-fluorophenyl)acrylate

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

Reference yield:

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

: 265299-13-6
methyl 2-(acetoxy(4-fluorophenyl)methyl)acrylate

: 1082208-20-5
methyl (E)-2-((1H-1,2,4-triazol-1-yl)methyl)-3-(4-fluorophenyl)acrylate

: 1082208-21-6
methyl 2-((4-fluorophenyl)(1H-1,2,4-triazol-1-yl)methyl)acrylate

Guidance literature:: methyl 2-(acetoxy(4-fluorophenyl)methyl)acrylate; With 1,4-diaza-bicyclo[2.2.2]octane; In ethanol; at 20 ℃; for 0.166667h;

1,2,4-Triazole; In ethanol; at 20 ℃; Further stages.;
DOI:10.1080/00397910802136623