2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-

Base Information

Chemical Name:2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-
CAS No.:104941-10-8
Molecular Formula:C₁₂H₁₀ClN₃O
Molecular Weight:247.684
Hs Code.:
DSSTox Substance ID:DTXSID30146864
Wikidata:Q83011761
ChEMBL ID:CHEMBL36603
Mol file:104941-10-8.mol

Synonyms:104941-10-8;2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-;1-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one;CHEMBL36603;DTXSID30146864

Suppliers and Price of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-

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-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-

Chemical Property:

Vapor Pressure:7.53E-08mmHg at 25°C
Boiling Point:437.3°Cat760mmHg
Flash Point:218.3°C
Density:1.27g/cm³
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:247.0512396
Heavy Atom Count:17
Complexity:300

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=C(CN1C=NC=N1)C(=O)C2=CC=C(C=C2)Cl

Technology Process of 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-

There total 3 articles about 2-Propen-1-one, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)- 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:

: 1798-83-0
1-(4-chlorophenyl)-3-dimethylamino-propan-1-one hydrochloride

: 104941-10-8
1-(4-Chloro-phenyl)-2-[1,2,4]triazol-1-ylmethyl-propenone

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol; H₂O / 16 h / Heating

2: Ac₂O / 1.5 h / 60 °C

With acetic anhydride; In ethanol; water;
DOI:10.1021/jm00391a037

Reference yield:

: 99-91-2
para-chloroacetophenone

: 104941-10-8
1-(4-Chloro-phenyl)-2-[1,2,4]triazol-1-ylmethyl-propenone

Guidance literature:: Multi-step reaction with 3 steps

1: 36percent aq. HCl / ethanol / 15 h / Heating

2: ethanol; H₂O / 16 h / Heating

3: Ac₂O / 1.5 h / 60 °C

With hydrogenchloride; acetic anhydride; In ethanol; water;
DOI:10.1021/jm00391a037