1-(1-Methyl-1H-tetrazol-5-yl)propan-2-one

Base Information

Chemical Name:1-(1-Methyl-1H-tetrazol-5-yl)propan-2-one
CAS No.:116980-49-5
Molecular Formula:C₅H₈N₄O
Molecular Weight:140.145
Hs Code.:
DSSTox Substance ID:DTXSID40568376
Wikidata:Q82454612
Mol file:116980-49-5.mol

Synonyms:116980-49-5;1-(1-Methyl-1H-tetrazol-5-yl)propan-2-one;SCHEMBL10612564;DTXSID40568376;AKOS012501237

Suppliers and Price of 1-(1-Methyl-1H-tetrazol-5-yl)propan-2-one

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 1-(1-Methyl-1H-tetrazol-5-yl)propan-2-one

Chemical Property:

XLogP3:-0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:140.06981089
Heavy Atom Count:10
Complexity:138

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CC1=NN=NN1C

Technology Process of 1-(1-Methyl-1H-tetrazol-5-yl)propan-2-one

There total 1 articles about 1-(1-Methyl-1H-tetrazol-5-yl)propan-2-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: 58.0%

: 13616-38-1
5-(2-Oxopropyl)-1H-tetrazole

: 74-88-4
methyl iodide

: 116980-49-5
5-(2-Oxopropyl)-1-methyl-1H-tetrazole

: 350802-26-5
(2-Methyl-2H-tetrazol-5-yl)acetone

Guidance literature:: With triethylamine; In acetone; for 28h;
DOI:10.1039/b007873p

Reference yield: 65.0%

: 447-61-0
2-Trifluoromethylbenzaldehyde

: 116980-49-5
5-(2-Oxopropyl)-1-methyl-1H-tetrazole

: 14205-39-1
methyl 3-aminocrotonate

: Methyl 1,4-dihydro-2,6-dimethyl-4-(2-trifluoromethylphenyl)-5-(1-methyl-1H-tetrazol-5-yl)-3-pyridinecarboxylate

Guidance literature:: In ethanol; for 14h; Heating;
DOI:10.1002/ardp.19953281104

Reference yield:

: 116980-49-5
5-(2-Oxopropyl)-1-methyl-1H-tetrazole

: 143019-09-4
7-Acetyl-5-benzoyl-1,6-dimethyl-1H-pyrrolo[1,2-d]tetrazole

Guidance literature:: Multi-step reaction with 3 steps

1: Heating

2: 45 percent / Et₃N / 4 h / 20 °C

3: Et₃N

With triethylamine;
DOI:10.1039/b007873p