1-(4-Methyl-4H-1,2,4-triazol-3-yl)ethanone

Base Information

Chemical Name:1-(4-Methyl-4H-1,2,4-triazol-3-yl)ethanone
CAS No.:153334-40-8
Molecular Formula:C₅H₇N₃O
Molecular Weight:125.13
Hs Code.:
European Community (EC) Number:862-013-5
Mol file:153334-40-8.mol

Synonyms:153334-40-8;1-(4-Methyl-4H-1,2,4-triazol-3-yl)ethanone;1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-one;Ethanone, 1-(4-methyl-4H-1,2,4-triazol-3-yl)- (9CI);1-(4-METHYL-1,2,4-TRIAZOL-3-YL)ETHANONE;MFCD18829128;AKOS022902712;NS-01031;EN300-325721

Suppliers and Price of 1-(4-Methyl-4H-1,2,4-triazol-3-yl)ethanone

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
1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-one
25mg
$ 220.00

Total 1 raw suppliers

Chemical Property of 1-(4-Methyl-4H-1,2,4-triazol-3-yl)ethanone

Chemical Property:

Boiling Point:267.2±23.0 °C(Predicted)
PKA:0.63±0.10(Predicted)
Density:1.25±0.1 g/cm3(Predicted)
XLogP3:-0.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:125.058911855
Heavy Atom Count:9
Complexity:125

Purity/Quality:: 1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C1=NN=CN1C

Technology Process of 1-(4-Methyl-4H-1,2,4-triazol-3-yl)ethanone

There total 2 articles about 1-(4-Methyl-4H-1,2,4-triazol-3-yl)ethanone 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: 21.1%

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 153334-29-3
3-acetyl-1H-1,2,4-triazole

: 153334-40-8
3-acetyl-4-methyl-1H-1,2,4-triazole

Guidance literature:: In methanol; diethyl ether; Ambient temperature;
DOI:10.1248/cpb.41.1226

Reference yield:

: 153334-29-3
3-acetyl-1H-1,2,4-triazole

: 74-88-4
methyl iodide

: 153334-38-4
3-acetyl-1-methyl-1H-1,2,4-triazole

: 153334-40-8
3-acetyl-4-methyl-1H-1,2,4-triazole

: 106535-28-8
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethanone

Guidance literature:: With potassium hydroxide; In methanol; water; Product distribution; Ambient temperature; other 5-acyl-1,2,4-triazole and methylation reagent, var. solvent;
DOI:10.1248/cpb.41.1226