5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one

Base Information

Chemical Name:5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CAS No.:1010-54-4
Molecular Formula:C9H9 N3 O
Molecular Weight:175.19
Hs Code.:2933990090
DSSTox Substance ID:DTXSID00397220
Wikidata:Q82198375
Mol file:1010-54-4.mol

Synonyms:1010-54-4;5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one;3-Methyl-4-phenyl-1H-1,2,4-triazol-5(4H)-one;3-methyl-4-phenyl-1H-1,2,4-triazol-5-one;3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methyl-4-phenyl-;2,4-Dihydro-5-methyl-4-phenyl-3H-1,2,4-triazol-3-one;3-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one;LCZC2239;SCHEMBL3520528;DTXSID00397220;BAA01054;MFCD03787260;AKOS005069665;FT-0680093;F86963;12T-0820;J-512859;5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-trizol-3-one

Suppliers and Price of 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
100mg
$ 60.00

TRC
5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
50mg
$ 45.00

TRC
5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
500mg
$ 200.00

SynQuest Laboratories
2,4-Dihydro-5-methyl-4-phenyl-3H-1,2,4-triazol-3-one
10 g
$ 600.00

SynQuest Laboratories
2,4-Dihydro-5-methyl-4-phenyl-3H-1,2,4-triazol-3-one
5 g
$ 400.00

SynQuest Laboratories
2,4-Dihydro-5-methyl-4-phenyl-3H-1,2,4-triazol-3-one
1 g
$ 160.00

Matrix Scientific
5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one >95%
1g
$ 140.00

Matrix Scientific
5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one >95%
5g
$ 346.00

Matrix Scientific
5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one >95%
500mg
$ 91.00

Crysdot
3-Methyl-4-phenyl-1H-1,2,4-triazol-5(4H)-one 95+%
10g
$ 434.00

Total 23 raw suppliers

Chemical Property of 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one

Chemical Property:

Vapor Pressure:2.81E-07mmHg at 25°C
Melting Point:153-154°C
Refractive Index:1.644
Boiling Point:409.1°Cat760mmHg
PKA:6.46±0.20(Predicted)
Flash Point:201.2°C
PSA：50.68000
Density:1.27g/cm³
LogP:0.86900
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:175.074561919
Heavy Atom Count:13
Complexity:243

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NNC(=O)N1C2=CC=CC=C2

Technology Process of 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one

There total 5 articles about 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one 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:

: 6294-89-9
hydrazinecarboxylic acid methyl ester

: 78-39-7
Triethyl orthoacetate

: 62-53-3
aniline

: 1010-54-4
5-Methyl-4-phenyl-1,2,4-triazol-3(2H)-one

Guidance literature:: hydrazinecarboxylic acid methyl ester; Triethyl orthoacetate; aniline; With toluene-4-sulfonic acid; In isopropyl methanesulfonate; for 24h; Heating / reflux;

With sodium methylate; In isopropyl methanesulfonate; at 20 ℃; for 72h; Heating / reflux;

With acetic acid; In isopropyl methanesulfonate; water; pH=5;

Reference yield:

: 62-53-3
aniline

: 1010-54-4
5-Methyl-4-phenyl-1,2,4-triazol-3(2H)-one

Guidance literature:: With hydrogenchloride;

Reference yield:

: 78-39-7
Triethyl orthoacetate

: 537-47-3
4-phenyl-semicarbazide

: 1010-54-4
5-Methyl-4-phenyl-1,2,4-triazol-3(2H)-one

Guidance literature:: With ammonium sulfate; formic acid; 1,1,1,3,3,3-hexamethyl-disilazane; Yield given. Multistep reaction; 1) 3 deg C, 1 h, 2) reflux, 5 h;