7120-86-7

Basic information

• Product Name: 5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
• Synonyms: 5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one;Einecs 230-423-8;5-tert-butyl-1,3,4-oxadiazol-2-ol(SALTDATA: FREE);1,3,4-oxadiazol-2(3H)-one, 5-(1,1-dimethylethyl)-;1,3,4-OXADIAZOLINE,5-TERT.BUTYL,2-ONE;InChI=1/C6H10N2O2/c1-6(2,3)4-7-8-5(9)10-4/h1-3H3,(H,8,9
• CAS NO: 7120-86-7
• Molecular Formula: C₆H₁₀N₂O₂
• Molecular Weight: 142.1558
• EINECS: 230-423-8
• Mol File: 7120-86-7.mol
• Article Data: 0

Chemical Properties

• Appearance: /
• Density: 1.22g/cm³
• Refractive Index: 1.53
• CAS DataBase Reference: 5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one(7120-86-7)
• EPA Substance Registry System: 5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one(7120-86-7)

Safety Data

• Hazardous Substances Data: 7120-86-7(Hazardous Substances Data)

Usage

Description

5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one, also known as tert-butyl 2-oxo-1,3,4-oxadiazolidine-5-carboxylate, is a heterocyclic chemical compound with the molecular formula C7H11N3O3. It features an oxadiazole ring and is widely recognized in medicinal chemistry and drug discovery as a versatile building block for synthesizing biologically active compounds. 5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one has demonstrated potential pharmacological properties, including anticonvulsant and sedative effects, and has been studied for its antimicrobial and antifungal capabilities, making it a significant entity in the realm of medicinal chemistry.

Uses

Used in Medicinal Chemistry:
5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one is utilized as a key building block for the synthesis of various biologically active compounds due to its ability to enhance the pharmacological properties of molecules.
Used in Drug Discovery:
In the field of drug discovery, 5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one is employed for its potential to contribute to the development of new therapeutic agents, given its demonstrated pharmacological activities.
Used in Pharmaceutical Industry:
5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one is used as a starting material or intermediate in the production of pharmaceuticals, particularly those with anticonvulsant and sedative properties, due to its inherent pharmacological effects.
Used in Antimicrobial and Antifungal Agents:
5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one is also used as a potential antimicrobial and antifungal agent, leveraging its ability to combat microbial infections, which is of significant interest in the development of new antibiotics and antifungal medications.
Used in Research and Development:
In research and development settings, 5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one serves as a valuable compound for studying its therapeutic potential and for exploring its interactions with biological systems to further understand its mechanisms of action.

InChI:InChI=1/C6H10N2O2/c1-6(2,3)4-7-8-5(9)10-4/h1-3H3,(H,8,9)

Upstream product

• 51430-96-7 N'-(2,2-dimethyl-propionyl)-hydrazinecarboxylic acid phenyl ester 
• 3282-30-2 pivaloyl chloride 

Downstream Products

• 84282-74-6 4,4-dimethyl-1-pivaloyl-2-<2-nitro-4-(trifluoromethyl)-5-(dimethylamino)phenyl>semicarbazide 
• 84282-81-5 1-<2-nitro-4-(trifluoromethyl)-5-chlorophenyl>-2-pivaloylhydrazinecarboxylic acid methyl ester 
• 84282-64-4 5-t-butyl-3-(2-nitro-4-(trifluoromethyl)-5-(methylthio)phenyl)-1,3,4-oxadiazolin-2(3H)-one 
• 84282-87-1 2-(2,6-dichlorobenzyl)-4,4-dimethyl-1-pivaloylsemicarbazide 
• 84282-86-0 pivalic acid 2-(2,6-dichlorobenzyl)hydrazide 
• 118481-15-5 3-<2-amino-4-(trifluoromethyl)phenyl>-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one 
• 84282-61-1 5-(1,1-dimethylethyl)-3-<2-nitro-4-(trifluoromethyl)phenyl>-1,3,4-oxadiazol-2(3H)-one 
• 84282-63-3 5-t-butyl-3-(5-chloro-2-bitro-4-trifluoromethylphenyl)-1,3,4-oxadiazolin-2(3H)-one