3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-

Base Information

Chemical Name:3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-
CAS No.:117258-26-1
Molecular Formula:C15H21 N3 O3
Molecular Weight:291.3455
Hs Code.:
DSSTox Substance ID:DTXSID60151744
Nikkaji Number:J347.385F
ChEMBL ID:CHEMBL96664

Synonyms:BRN 4198003;3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-;2,4-Dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-3H-1,2,4-triazol-3-one;117258-26-1;CHEMBL96664;DTXSID60151744;LS-156486;2,4-Dimethyl-5-(3-butoxy-4-methoxyphenyl)-2H-1,2,4-triazol-3(4H)-one

Suppliers and Price of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-

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-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-

Chemical Property:

Vapor Pressure:5.23E-06mmHg at 25°C
Boiling Point:381°Cat760mmHg
Flash Point:184.2°C
Density:1.16g/cm³
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:291.15829154
Heavy Atom Count:21
Complexity:400

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCOC1=C(C=CC(=C1)C2=NN(C(=O)N2C)C)OC

Technology Process of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-

There total 4 articles about 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl- 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: 33.0%

: 117258-25-0
5-<3-(n-butoxy)-4-methoxyphenyl>-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

: 74-88-4
methyl iodide

: 117258-26-1
5-<3-(n-butoxy)-4-methoxyphenyl>-2,4-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one

Guidance literature:: With sodium hydroxide; In ethanol; for 24h;
DOI:10.1021/jm00172a015

Reference yield: 7.6%

: 117258-25-0
5-<3-(n-butoxy)-4-methoxyphenyl>-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

: 74-88-4
methyl iodide

: 117258-26-1
5-<3-(n-butoxy)-4-methoxyphenyl>-2,4-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one

: 133074-66-5
anhydro-5-<3-(n-butoxy)-4-methoxyphenyl>-1,4-dimethyl-3-hydroxy-1,2,4-triazolium hydroxide

Guidance literature:: With sodium hydroxide; In ethanol; water; for 17h; Ambient temperature;

Reference yield:

: 133074-65-4
3-(n-butoxy)-4-methoxybenzoic acid hydrazide

: 117258-26-1
5-<3-(n-butoxy)-4-methoxyphenyl>-2,4-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: 83 percent / tetrahydrofuran / 17 h

2: 70 percent / aq. NaOH / 23 h / Heating

3: 33 percent / aq. NaOH / ethanol / 24 h

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