1171197-20-8

Basic information

• Product Name: (S)-tert-butyl 3-(4-aMinophenyl)piperidine-1-carboxylate
• Synonyms: (S)-tert-butyl 3-(4-aMinophenyl)piperidine-1-carboxylate;tert-butyl (S)-3-(4-aminophenyl)piperidine-1-carboxylate;tert-butyl (3S)-3-(4-aminophenyl)piperidine-1-carboxylate;mk4827 int;MK4827 intermediate;1-Piperidinecarboxylic acid, 3-(4-aminophenyl)-, 1,1-dimethylethyl ester, (3S)-;(3S)-3-(4-Aminophenyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
• CAS NO: 1171197-20-8
• Molecular Formula: C₁₆H₂₄N₂O₂
• Molecular Weight: 276.37396
• EINECS: -0
• Mol File: 1171197-20-8.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 412.7±45.0 °C(Predicted)
• Appearance: /
• Density: 1.100±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 4.96±0.10(Predicted)
• CAS DataBase Reference: (S)-tert-butyl 3-(4-aMinophenyl)piperidine-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-tert-butyl 3-(4-aMinophenyl)piperidine-1-carboxylate(1171197-20-8)
• EPA Substance Registry System: (S)-tert-butyl 3-(4-aMinophenyl)piperidine-1-carboxylate(1171197-20-8)

Safety Data

• Hazardous Substances Data: 1171197-20-8(Hazardous Substances Data)

Usage

Physical Form

Solid

Uses

(S)-tert-Butyl 3-(4-Aminophenyl)piperidine-1-carboxylate is an impurity of Niraparib, a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor efficacious in BRCA-1 and -2 mutant tumors.

Upstream product

• 104-03-0 4-nitrobenzeneacetic acid 
• 171364-83-3 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene 
• 40114-49-6 1-benzyl-3-piperidone 
• 87-69-4 L-Tartaric acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 19733-56-3 3-(4-aminophenyl)piperidine 
• 875798-79-1 3-(4-aminophenyl)piperidine-1-carboxylic acid tert-butyl ester 
• 1196713-21-9 (3S)-3-(4-aminophenyl)piperidine 
• 586-78-7 para-nitrophenyl bromide 
• 1692-25-7 3-pyridylboronic acid 
• 4282-46-6 3-(4'-nitrophenyl)pyridine 
• 34619-03-9 tert-butyldicarbonate 
• 1196713-22-0 (3S)-3-(4-aminophenyl)piperidinium (2R,3R)-3-carboxy-2,3-dihydroxypropanoate 

Downstream Products

• 1038916-05-0 tert-butyl (3S)-3-[4-({(1E)-[3-(methoxycarbonyl)-2-nitrophenyl]methylene}amino)phenyl]piperidine-1-carboxylate 
• 1038915-64-8 (3S)-3-[4-[7-(aminocarbonyl)-2H-indazol-2-yl]phenyl]piperidinium chloride 
• 1196713-67-3 2-[4-((3S)-(tertbutoxycarbonyl)piperidin-3-yl)phenyl]-2H-indazole-7-carboxylic acid methyl ester 
• 1038916-11-8 tert-butyl (3S)-3-{4-[7-(aminocarbonyl)-2H-indazol-2-yl]phenyl}piperidine-1-carboxylate 
• 1038916-08-3 2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]phenyl}-2H-indazole-7-carboxylic acid 
• 1312106-32-3 18-(nitrobenzylideneamino)phenylpiperidine-1-carboxylate 
• 1038915-60-4 (3S)-3-[4-{7-(aminocarbonyl)-2H-indazol-2-yl}phenyl]piperidine 

Relevant articles and documents

PROCESSES FOR THE PREPARATION OF NIRAPARIB AND INTERMEDIATES THEREOF

The present invention relates to novel procedures and novel intermediates useful in the synthesis of Niraparib or any salt thereof.

Method for preparing Niraparib of PARP (poly-ADP-ribose polymerase) inhibitor

The invention discloses a method for preparing 2-(4-((3S)-3-piperidyl) phenyl)-2H-indazole-7-formamide of a compound. Benzyl protected-piperidone is generated into piperidone of 3-triflic anhydride under the action of triflic anhydride, the piperidone and nitrobenzoic acid are subjected to Suzuki reaction to obtain a coupled product, 3-(4-aminophenyl) piperidine is obtained under the action of a palladium reagent, (S)-3-(4-halogenated phenyl) piperidine is prepared with a chirality resolution reagent, the (S)-3-(4-halogenated phenyl) piperidine is condensed with 3-formyl-2-methyl nitrobenzoate to form pyrazolone ring under the action of sodium azide, and the Niraparid (with the molecular entity of 2-(4-((3S)-3-piperidyl) phenyl)-2H-indazole-7-formamide) is prepared via aminolysis.