2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-

Base Information

Chemical Name:2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-
CAS No.:104940-91-2
Molecular Formula:C₁₂H₁₁N₃O
Molecular Weight:213.239
Hs Code.:
DSSTox Substance ID:DTXSID40146850
Wikidata:Q83011743
ChEMBL ID:CHEMBL37480
Mol file:104940-91-2.mol

Synonyms:104940-91-2;2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-;CHEMBL37480;DTXSID40146850;1-(p-tolyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one

Suppliers and Price of 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-

Supply Marketing:

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

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Chemical Property of 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-

Chemical Property:

Vapor Pressure:5.92E-07mmHg at 25°C
Boiling Point:410.7°C at 760 mmHg
Flash Point:202.2°C
Density:1.15g/cm³
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:213.090211983
Heavy Atom Count:16
Complexity:282

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)C(=C)N2C=NC=N2

Technology Process of 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-

There total 2 articles about 2-Propen-1-one, 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-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:

: 619-41-0
4-(bromoacetyl)toluene

: 104940-91-2
1-p-Tolyl-2-[1,2,4]triazol-1-yl-propenone

Guidance literature:: Multi-step reaction with 2 steps

1: NaH / tetrahydrofuran / 0.5 h / Ambient temperature

2: acetic anhydride / 0.25 h / 40 °C

With acetic anhydride; sodium hydride; In tetrahydrofuran;
DOI:10.1021/jm00391a037