97538-67-5

Basic information

• Product Name: (2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE
• Synonyms: L-PROLINE - CHLORAL CONDENSATION PRODUCT;(3R-CIS)-TETRAHYDRO-3-(TRICHLOROMETHYL)-1H,3H-PYRROLO[1,2-C]OXAZOL-1-ONE;(3R)-TRICHLOROMETHYL-CIS-TETRAHYDROPYRROLO[1,2-C]OXAZOL-1-ONE;(2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE;(2R, 5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3,3,0]OCTANE-4-ONE;0]octane-4-one;5S)-2-TrichloroMethyl-3-oxa-1-azabicyclo[3;(3R,7aS)-3-(trichloroMethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one
• CAS NO: 97538-67-5
• Molecular Formula: C₇H₈Cl₃NO₂
• Molecular Weight: 244.50292
• Mol File: 97538-67-5.mol
• Article Data: 28

Chemical Properties

• Melting Point: 108-112°C
• Boiling Point: 338.6 °C at 760 mmHg
• Flash Point: 158.6 °C
• Appearance: /
• Density: 1.59 g/cm3
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.573
• Storage Temp.: Store at 0-5°C
• Solubility: soluble in Methanol
• PKA: 2.01±0.40(Predicted)
• CAS DataBase Reference: (2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: (2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE(97538-67-5)
• EPA Substance Registry System: (2R,5S)-2-TRICHLOROMETHYL-3-OXA-1-AZABICYCLO[3.3.0]OCTAN-4-ONE(97538-67-5)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 97538-67-5(Hazardous Substances Data)

Usage

General Description

The chemical compound (2R,5S)-2-trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octan-4-one, also known as methyl trichloropyrones, is a tricyclic lactam with a unique chemical structure. It is used as a reagent in organic synthesis and is known for its potent bioactivity, particularly as an antimicrobial and antiviral agent. The trichloromethyl group is responsible for its strong biological properties, making it a valuable compound in pharmaceutical development and research. Additionally, its bicyclic lactam structure gives it versatility in potential applications, making it an important target for further study and exploration in medicinal chemistry.

InChI:InChI=1/C7H8Cl3NO2/c8-7(9,10)6-11-3-1-2-4(11)5(12)13-6/h4,6H,1-3H2/t4-,6+/m0/s1

Upstream product

• 515-83-3 chloral ethyl hemiacetal 
• 147-85-3 L-proline 
• 75-87-6 chloral 
• 302-17-0 chloral hydrate 

Downstream Products

• 220200-88-4 (3R,7aS)-7a-methyl-3-(trichloromethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one 
• 3760-54-1 1-pyrrolidinecarboxaldehyde 
• 41721-00-0 L-prolylpyrrolidine 
• 389127-43-9 (R)-methyl 2-allylpyrrolidine-2-carboxylate 
• 1196880-41-7 C₁₆H₁₈Cl₃NO₃ 
• 1196880-43-9 (3R,3'R,7aR)-3,3'-bis(trichloromethyl)tetrahydro-1H,1'H-7a,7'a-bipyrrolo[1,2-c]oxazole-1,1'(3H,3'H,5H,5'H)-dione 
• 956580-27-1 (3R,7aR)-7a-((benzyloxy)methyl)-3-(trichloromethyl)tetrahydro-1H,3H-pyrrolo [1,2-c]oxazol-1-one 
• 847952-36-7 (8aS)-8a-methylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione 
• 706806-60-2 (R)-2-benzyl-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid 
• 1621436-26-7 tert-butyl (R)-2-((2S,3R)-1,3-bis(benzyloxy)-1-oxobutan-2-yl)-1-oxo-2,5-diazaspiro [3.4]octane-5-carboxylate 
• 129704-91-2 (R)-2-allylpyrrolidine-2-carboxylic acid hydrochloride 
• 112348-45-5 (R)-N-(tert-butoxycarbonyl)-2-allylproline methyl ester 

Relevant articles and documents

Preparation method of N-phenylacetyl-2-hydroxymethylpyrrolidine-2-formamide and medicinal application of N-phenylacetyl-2-hydroxymethylpyrrolidine-2-formamide

The invention discloses N-phenylacetyl-2-hydroxymethylpyrrolidine-2-formamide as shown in a general formula (I), a preparation method of the compound, a new application of the compound and a pharmaceutical composition containing the compound in the aspect of inhibiting neuroglial cell inflammation. Wherein R1/R2 is equal to H, F, CF3 or OCF3.

METHOD FOR PREPARATION OF ALPHA-METHYL-L-PROLINE

The invention discloses a method for preparation of alpha-methyl-L-proline starting from proline and comprising three steps, first a conversion with chloral, then a conversion with methyl bromide and then a conversion with aqueous HCl.

SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF

Disclosed are compounds having enhanced potency in the modulation of NMDA receptor activity. Such compounds can be used in the treatment of conditions such as depression and related disorders. Orally available formulations and other pharmaceutically acceptable delivery forms of the compounds, including intravenous formulations, are also disclosed.