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

Base Information

Chemical Name:3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(3-butoxy-4-methoxyphenyl)-4-methyl-
CAS No.:117258-25-0
Molecular Formula:C14H19 N3 O3
Molecular Weight:277.319
Hs Code.:
DSSTox Substance ID:DTXSID00151743
Nikkaji Number:J347.369D
Wikidata:Q83018286
ChEMBL ID:CHEMBL92504

Synonyms:BRN 4193690;3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(3-butoxy-4-methoxyphenyl)-4-methyl-;2,4-Dihydro-5-(3-butoxy-4-methoxyphenyl)-4-methyl-3H-1,2,4-triazol-3-one;117258-25-0;CHEMBL92504;SCHEMBL9257353;DTXSID00151743;LS-156487;4-Methyl-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)-4-methyl-

Supply Marketing:

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

Manufacturers and distributors:

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

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.21g/cm³
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:277.14264148
Heavy Atom Count:20
Complexity:373

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 6 articles about 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(3-butoxy-4-methoxyphenyl)-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: 70.0%

: 129521-47-7
1-<3-(n-butoxy)-4-methoxybenzoyl>-4-methylsemicarbazide

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

Guidance literature:: With sodium hydroxide; for 23h; Heating;
DOI:10.1021/jm00172a015

Reference yield:

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

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

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / tetrahydrofuran / 17 h

2: 70 percent / sodium hydroxide / H₂O / 1.) 6 h reflux, 2.) 17 h room temperature

With sodium hydroxide; In tetrahydrofuran; water;

Reference yield:

: 6702-50-7
3-hydroxy-4-methoxybenzoate

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

Guidance literature:: Multi-step reaction with 4 steps

1: 73 percent / potassium carbonate, potassium iodide / acetone / 48 h / Heating

2: 96 percent / anhydrous hydrazine / methanol / 72 h / Heating

3: 83 percent / tetrahydrofuran / 17 h

4: 70 percent / sodium hydroxide / H₂O / 1.) 6 h reflux, 2.) 17 h room temperature

With sodium hydroxide; potassium carbonate; potassium iodide; hydrazine; In tetrahydrofuran; methanol; water; acetone;