1-(1H-1,2,4-Triazol-5-yl)ethanone

Base Information

Chemical Name:1-(1H-1,2,4-Triazol-5-yl)ethanone
CAS No.:153334-29-3
Molecular Formula:C₄H₅N₃O
Molecular Weight:111.103
Hs Code.:2933990090
European Community (EC) Number:835-699-9
Mol file:153334-29-3.mol

Synonyms:1-(1H-1,2,4-Triazol-5-yl)ethanone;153334-29-3;Ethanone, 1-(1H-1,2,4-triazol-3-yl)- (9CI);1-(1H-1,2,4-triazol-3-yl)ethan-1-one;3-acetyl-1,2,4-triazole;SCHEMBL3212184;SCHEMBL14446931;SCHEMBL17927448;GYKQWOBXJHLLAP-UHFFFAOYSA-N;MFCD17078875;AKOS005174660;AKOS013569827;AKOS025395176;AT12117;BS-37396;EN300-137277;Z1216858052

Suppliers and Price of 1-(1H-1,2,4-Triazol-5-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-(1H-1,2,4-triazol-5-yl)ethanone
100mg
$ 155.00

TRC
1-(1H-1,2,4-triazol-5-yl)ethanone
50mg
$ 90.00

Matrix Scientific
1-(1H-1,2,4-Triazol-5-yl)ethanone
500mg
$ 237.00

Crysdot
1-(1H-1,2,4-Triazol-5-yl)ethanone 95+%
1g
$ 320.00

ChemBridge Corporation
1-(1H-1,2,4-triazol-5-yl)ethanone 95%
200 μmol
$ 105.00

ChemBridge Corporation
1-(1H-1,2,4-triazol-5-yl)ethanone 95%
1 g
$ 300.00

AK Scientific
1-(1H-1,2,4-Triazol-5-yl)ethanone
500mg
$ 369.00

Total 3 raw suppliers

Chemical Property of 1-(1H-1,2,4-Triazol-5-yl)ethanone

Chemical Property:

Boiling Point:294.5±23.0 °C(Predicted)
PKA:7.90±0.20(Predicted)
PSA：58.64000
Density:1.295±0.06 g/cm3(Predicted)
LogP:0.00730
XLogP3:0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:111.043261792
Heavy Atom Count:8
Complexity:104

Purity/Quality:

98%min ^*data from raw suppliers

1-(1H-1,2,4-triazol-5-yl)ethanone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=NC=NN1

Technology Process of 1-(1H-1,2,4-Triazol-5-yl)ethanone

There total 1 articles about 1-(1H-1,2,4-Triazol-5-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:

: 127-19-5,116057-81-9
N,N-dimethyl acetamide

: 123124-67-4
1-Diethoxymethyl-1H-[1,2,4]triazole

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

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; 1.) hexane, THF, 0 deg C, 15 min, 2.) hexane, THF, 0 deg C, 30 min;
DOI:10.1248/cpb.41.1226

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