3069-67-8

Basic information

• Product Name: 5-Methyl-1,3,4-oxadiazol-2(3H)-one
• Synonyms: 5-Methyl-1,3,4-oxadiazol-2(3H)-one;5-methyl-1,3,4-oxadiazol-2-ol(SALTDATA: FREE);5-Methyl-2,3-dihydro-1,3,4-oxadiazol-2-one;2,3-dihydro-5-Methyl-2-oxo-1,3,4-oxadiazole
• CAS NO: 3069-67-8
• Molecular Formula: C₃H₄N₂O₂
• Molecular Weight: 100.08
• Product Categories: Heterocyclic Building Blocks
• Mol File: 3069-67-8.mol
• Article Data: 9

Chemical Properties

• Melting Point: 112 °C
• Boiling Point: 134 °C(Press: 14 Torr)
• Appearance: /
• Density: 1.56 g/cm³
• Refractive Index: 1.601
• Storage Temp.: 2-8°C
• PKA: 6.34±0.70(Predicted)
• CAS DataBase Reference: 5-Methyl-1,3,4-oxadiazol-2(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Methyl-1,3,4-oxadiazol-2(3H)-one(3069-67-8)
• EPA Substance Registry System: 5-Methyl-1,3,4-oxadiazol-2(3H)-one(3069-67-8)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 3069-67-8(Hazardous Substances Data)

Usage

General Description

5-Methyl-1,3,4-oxadiazol-2(3H)-one is a chemical compound that falls under the classification of oxadiazoles. Notable for its heterocyclic framework, this chemical has drawn considerable interest in scientific research due to its potential applications in medicinal chemistry. The compound is expected to have a variety of biological activities, including anti-tumor, anti-inflammatory, antimicrobial, and analgesic properties. Its molecular formula is C3H3N2O2, and it exhibits a molecular weight of 99.07 g/mol. It is also characterized by other identifiers such as IUPAC Name, Canonical SMILES, and InChI Key.

InChI:InChI=1/C3H4N2O2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)

Upstream product

• 75-44-5 phosgene 
• 1068-57-1 acetic acid hydrazide 
• 4114-29-8 ethyl 2-(acetyl)hydrazinocarboxylate 
• 51430-95-6 N'-acetyl-hydrazinecarboxylic acid phenyl ester 
• 503-38-8 trichloromethyl chloroformate 
• 102-09-0 bis(phenyl) carbonate 
• 616-38-6 carbonic acid dimethyl ester 
• 79-20-9 acetic acid methyl ester 
• 31130-17-3 2-mercapto-5-methyl-1,3,4-oxadiazole 
• 32315-10-9 bis(trichloromethyl) carbonate 

Downstream Products

• 1785-02-0 triphenyl isocyanurate 
• 199787-62-7 N-(2,4,6-Trioxo-3,5-diphenyl-[1,3,5]triazinan-1-yl)-acetamide 
• 10305-49-4 5-Methyl-2-oxo-[1,3,4]oxadiazole-3-carboxylic acid phenylamide 
• 1068975-19-8 3-[2-(4-fluoro-phenyl)-2-oxo-ethyl]-5-methyl-3H-1,3,4-oxadiazol-2-one 

Relevant articles and documents

Investigation of Masked N-Acyl-N-isocyanates: Support for Oxadiazolones as Blocked N-Isocyanate Precursors

In contrast to carbon-substituted isocyanates that are common building blocks, N-substituted isocyanates remain underdeveloped and reports on their N-acyl derivatives (i. e. amido-isocyanates) are exceedingly rare. Herein, amido-isocyanates were investiga

The invention relates to a synthetic pymetrozine intermediate [...] physiologically carbonate method

The invention discloses a method for synthesizing a pymetrozine intermediate (oxadiazole ketone) by utilizing carbonate ester. According to the method, hydrazine hydrate and an acetic acid ester are utilized as raw materials for hydrazine-ester condensation to synthesize acethydrazide; oxadiazole ketone is generated through a ring-closure reaction between acethydrazide and carbonate ester under certain conditions. Such environmental-friendly non-toxic or low-toxic dimethyl carbonate, diphenyl carbonate or dibenzyl carbonate is utilized for replacing previously common virulent phosgene, diphosgene or triphosgene as a carbonylation ring-closure reagent; under the action of catalysts, a ring-closure cyclization reaction is performed for preparation of oxadiazole ketone; virulent phosgene and a great amount of inorganic solid hazardous waste are prevented from generating during a production process, so that major hidden dangers are reduced; the method has the advantages that the process is safe and reliable, reaction conditions are mild and easy to control, after-treatment is convenient, and an environmental-friendly effect is achieved.

Process for producing 2-methyl-1,3,4-oxadiazole-5(4H)-ketone

The invention discloses a process for producing 2-methyl-1,3,4-oxadiazole-5(4H)-ketone. The 2-methyl-1,3,4-oxadiazole-5(4H)-ketone is a main chemical finished product. The process comprises the following steps: 1, adding a dichloroethane solution of acethydrazide into a 5,000-liter ring formation kettle, closing a manhole cover, stirring and reducing the temperature to 10 DEG C; 2, checking and starting a tail gas absorption system; 3, after dropwise addition is completed, performing reaction for 24h in a manner that the temperature of the ring formation kettle is controlled to be below 45 DEG C, and after reaction is completed, adding a small amount of NaHCO3 to neutralize a small amount of hydrogen chloride contained in a solution; 4, after reaction is completed, keeping introducing nitrogen for 1h, and collecting and guiding generated HCl tail gas (containing trace diphosgene which does not participate in the reaction), performing two-stage water falling film absorption and one-stage liquid caustic soda bubble absorption, and then discharging through a 25m-high exhaust funnel (No. 1 exhaust funnel); 5, adding measured water into the kettle, and standing for 2h for demixing.