3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-

Base Information

Chemical Name:3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-
CAS No.:114058-88-7
Molecular Formula:C11H12 Cl N3 O
Molecular Weight:237.6855
Hs Code.:
DSSTox Substance ID:DTXSID10150641
Nikkaji Number:J347.375I
Wikidata:Q83016799
ChEMBL ID:CHEMBL431098
Mol file:114058-88-7.mol

Synonyms:BRN 4190391;3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-;114058-88-7;2,4-Dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-3H-1,2,4-triazol-3-one;CHEMBL431098;DTXSID10150641;LS-156492;2-Ethyl-4-methyl-5-(4-chlorophenyl)-2H-1,2,4-triazol-3(4H)-one

Suppliers and Price of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-

Supply Marketing:

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

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Chemical Property of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-

Chemical Property:

Vapor Pressure:0.000697mmHg at 25°C
Boiling Point:308.1°Cat760mmHg
Flash Point:140.1°C
Density:1.29g/cm³
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:237.0668897
Heavy Atom Count:16
Complexity:310

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C(=O)N(C(=N1)C2=CC=C(C=C2)Cl)C

Technology Process of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-

There total 4 articles about 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl- 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: 53.0%

: 116114-20-6
5-(4-chlorophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

: 75-03-6
ethyl iodide

: 114058-88-7
5-(4-chlorophenyl)-2,4-dihydro-2-ethyl-4-methyl-3H-1,2,4-triazol-3-one

Guidance literature:: With sodium hydroxide; In ethanol;
DOI:10.1021/jm00172a015

Reference yield:

: 116114-17-1
2-(4-chlorobenzoyl)-N-methylhydrazinecarboxamide

: 114058-88-7
5-(4-chlorophenyl)-2,4-dihydro-2-ethyl-4-methyl-3H-1,2,4-triazol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 69 percent / 1M aq. NaOH / 23 h / Heating

2: 53 percent / 1M aq. NaOH / ethanol / 24 h / Ambient temperature

With sodium hydroxide; In ethanol;
DOI:10.1055/s-1987-28119

Reference yield:

: 536-40-3
4-chlorobenzoic acid hydrazide

: 114058-88-7
5-(4-chlorophenyl)-2,4-dihydro-2-ethyl-4-methyl-3H-1,2,4-triazol-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: 91 percent / tetrahydrofuran / 17 h

2: 69 percent / aq. NaOH / 23 h / Heating

3: 53 percent / aq. NaOH / ethanol

With sodium hydroxide; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00172a015