1416161-72-2

Basic information

• Product Name: (5R,7S)-1-(3-fluorophenyl)-8-[4-hydroxy-3-(5-methyl-1H-pyrazol-1-yl)benzyl]-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
• Synonyms: (5R,7S)-1-(3-fluorophenyl)-8-[4-hydroxy-3-(5-methyl-1H-pyrazol-1-yl)benzyl]-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
• CAS NO: 1416161-72-2
• Molecular Weight: 446.524
• Mol File: 1416161-72-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (5R,7S)-1-(3-fluorophenyl)-8-[4-hydroxy-3-(5-methyl-1H-pyrazol-1-yl)benzyl]-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: (5R,7S)-1-(3-fluorophenyl)-8-[4-hydroxy-3-(5-methyl-1H-pyrazol-1-yl)benzyl]-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one(1416161-72-2)
• EPA Substance Registry System: (5R,7S)-1-(3-fluorophenyl)-8-[4-hydroxy-3-(5-methyl-1H-pyrazol-1-yl)benzyl]-7-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one(1416161-72-2)

Safety Data

• Hazardous Substances Data: 1416161-72-2(Hazardous Substances Data)

Upstream product

• 190906-91-3 3,4-dihydro-2-methyl-4-oxo-1(2H)-pyridinecarboxylic acid phenylmethyl ester 
• 620-08-6 4-methoxypyridine 
• 849928-34-3 benzyl 2-methyl-4-oxopiperidine-1-carboxylate 
• 921599-74-8 benzyl (2S)-2-methyl-4-oxopiperidine-1-carboxylate 
• 1416161-80-2 4-hydroxy-3-(5-methyl-1H-pyrazol-1-yl)benzaldehyde 
• 1416161-79-9 C₁₅H₁₇FN₂O*ClH 
• 1395896-55-5 4-bromo-2-(5-methyl-1H-pyrazol-1-yl)phenol 
• 1395896-56-6 1-(5-bromo-2-methoxyphenyl)-5-methyl-1H-pyrazole 
• 1416161-83-5 8-benzyl 3-ethyl (5R,7S)-1-(3-fluorophenyl)-7-methyl-2,4-dioxo-1,8-diazaspiro[4.5]decane-3,8-dicarboxylate 
• 1416161-82-4 1-benzyl 4-methyl (2S,4R)-4-[(3-ethoxy-3-oxopropanoyl)(3-fluorophenyl)amino]-2-methylpiperidine-1,4-dicarboxylate 
• 6358-77-6 5-bromo-2-methoxyaniline 
• 1227685-14-4 (5R,7S)-benzyl 1-(3-fluorophenyl)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate 
• 1227685-13-3 benzyl (5R,7S)-1-(3-fluorophenyl)-4-hydroxy-7-methyl-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate 
• 1227685-11-1 benzyl (2S,4R)-4-cyano-4-[(3-ethoxy-3-oxopropanoyl)(3-fluorophenyl)amino]-2-methylpiperidine-1-carboxylate 

Downstream Products

• 1416161-71-1 C₂₆H₂₇FN₄O₂*ClH 

Relevant articles and documents

Process development and scale-up of a β-secretase inhibitor via a stereospecific jocic reaction

A scalable process for the synthesis of a spiropiperidine β-secretase inhibitor is described. Key stereochemical transformations utilized are a diastereoselective trichloromethyl addition followed by an unprecedented stereospecific Jocic reaction with an aniline nucleophile. Simplified processing was developed for a Dieckmann cyclization/decarboxylation sequence to give a process suitable for the production of kilogram quantities of API.