1-(5-Methyl-1,3,4-oxadiazol-2-yl)propan-2-one

Base Information

• Chemical Name: 1-(5-Methyl-1,3,4-oxadiazol-2-yl)propan-2-one
• CAS No.: 83553-13-3
• Molecular Formula: C₆H₈N₂O₂
• Molecular Weight: 140.142
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20513864
• Wikidata: Q82373873
• Mol file: 83553-13-3.mol

Synonyms:83553-13-3;1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-one;2-Acetonyl-5-methyl-1,3,4-oxadiazole;5-methyl-2-(2-oxoprop-1-yl)-1,3,4-oxadiazole;1-(5-methyl-[1,3,4]oxadiazol-2-yl)-propan-2-one;SCHEMBL3432268;DTXSID20513864;JZDZFCHYDRLYQQ-UHFFFAOYSA-N;MFCD09800746;AKOS005138218;BB 0251622;FT-0678233;A899993;2-Acetonyl-5-methyl-1,3,4-oxadiazole, AldrichCPR

Chemical Property of 1-(5-Methyl-1,3,4-oxadiazol-2-yl)propan-2-one

Chemical Property:

• PSA: 55.99000
• LogP: 0.50950
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

2-Acetonyl-5-methyl-1,3,4-oxadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C(O1)CC(=O)C

Technology Process of 1-(5-Methyl-1,3,4-oxadiazol-2-yl)propan-2-one

There total 1 articles about 1-(5-Methyl-1,3,4-oxadiazol-2-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: 47.0%

2-Methyl-5-(2-methyl-[1,3]dioxolan-2-ylmethyl)-[1,3,4]oxadiazole (83553-10-0) → 1-(5-methyl-[1,3,4]oxadiazol-2-yl)-propan-2-one (83553-13-3)

Guidance literature:

With hydrogen bromide; In acetic acid; at 0 ℃; for 5h;

DOI:10.1007/BF00809020

Reference yield: 71.0%

isopropyl β-aminocrotonate (143093-33-8) + 2,3-dichlorobenzylaldehyde (6334-18-5) + 1-(5-methyl-[1,3,4]oxadiazol-2-yl)-propan-2-one (83553-13-3) → isopropyl-1,4-dihydro-2,6-dimethyl-4-(2,3-dichlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-pyridine-3-carboxylate (143426-78-2)

Guidance literature:

In isopropyl alcohol; for 15h; Heating;

DOI:10.1016/0223-5234(92)90006-M

Reference yield: 59.0%

1-(5-methyl-[1,3,4]oxadiazol-2-yl)-propan-2-one (83553-13-3) → N'-(3-methylisoxazol-5-yl)acetohydrazide (170167-61-0)

Guidance literature:

With sodium hydroxide; hydroxylamine hydrochloride; In ethanol; for 3h; Ambient temperature;

DOI:10.1055/s-1995-3994

upstream raw materials:

2-Methyl-5-(2-methyl-[1,3]dioxolan-2-ylmethyl)-[1,3,4]oxadiazole

Downstream raw materials:

isopropyl-1,4-dihydro-2,6-dimethyl-4-(2,3-dichlorophenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-pyridine-3-carboxylate

N'-(3-methylisoxazol-5-yl)acetohydrazide

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