1476776-55-2

Basic information

• Product Name: tert-butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate
• Synonyms: tert-butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate;(S)-tert-butyl3-(4-bromophenyl)piperidine-1-carboxylate;tert-Butyl (3s)-3-(4-bromophenyl)-piperidine-1-carboxylate;(3S)-3-(4-Bromophenyl)-1-piperidinecarboxylic acid 1,1-dimethylethylester
• CAS NO: 1476776-55-2
• Molecular Formula: C₁₆H₂₂BrNO₂
• Molecular Weight: 340.27
• EINECS: 1533716-785-6
• Product Categories: API
• Mol File: 1476776-55-2.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 398.5±42.0 °C(Predicted)
• Appearance: /
• Density: 1.283±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -1.84±0.40(Predicted)
• CAS DataBase Reference: tert-butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate(1476776-55-2)
• EPA Substance Registry System: tert-butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate(1476776-55-2)

Safety Data

• Hazardous Substances Data: 1476776-55-2(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 1476776-55-2 differently. You can refer to the following data:
1. tert-?Butyl (S)?-?3-?(4-?Bromophenyl)?piperidine-?1-?carboxylate is an intermediate of Niraparib, a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor efficacious in BRCA-1 and -2 mutant tumors.
2. tert-?Butyl (S)?-?3-?(4-?Bromophenyl)?piperidine-?1-?carboxylate is an intermediate of Niraparib (N481400), a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor efficacious in BRCA-1 and -2 mutant tumors.

Upstream product

• 6340-79-0 4-oxo-4-(4-bromophenyl)butanoic acid 
• 1284448-67-4 isopropyl 4-(4-bromophenyl)-4-oxobutanoate 
• 1476776-39-2 isopropyl 3-(2-(4-bromophenyl)oxiran-2-yl)-propanoate 
• 1476776-40-5 isopropyl 4-(4-bromophenyl)-5-oxopentanoate 
• 1476776-44-9 (S)-5-(4-bromophenyl)piperidin-2-one 
• 24424-99-5 di-tert-butyl dicarbonate 
• 1335523-82-4 4-(3S-piperidine-3-yl)bromobenzene 
• 59349-71-2 (S)-3-phenylpiperidine hydrochloride 
• 1878-68-8 2-(4-bromophenyl)-acetic acid 
• 204851-47-8 (4S)-4-benzyl-3-(2-(4-bromophenyl)acetyl)oxazolidin-2-one 
• 769944-72-1 3-(4-bromo-phenyl)-piperidine 
• 129013-83-8 3-(4-bromophenyl)pyridine 
• 1008-88-4 3-phenylpyridine 
• 1476776-61-0 C₁₁H₁₃BrO₂ 

Downstream Products

• 1038915-73-9 2-[4-((3S)-3-piperidinyl)phenyl]-2H-indazole-7-carboxamide p-toluenesulfonic acid salt 
• 1196713-67-3 2-[4-((3S)-(tertbutoxycarbonyl)piperidin-3-yl)phenyl]-2H-indazole-7-carboxylic acid methyl ester 
• 1038915-60-4 (3S)-3-[4-{7-(aminocarbonyl)-2H-indazol-2-yl}phenyl]piperidine 

Relevant articles and documents

DEUTERATED (S)-2-(4-(PIPERIDIN-3-YL)PHENYL)-2H-INDAZOLE-7-CARBOXAMIDE

A deuterated compound having the structure of Formula I: or a pharmaceutically acceptable salt, solvate, or prodrug thereof; or a salt of a prodrug thereof; or a hydrate or polymorph thereof; whereinY1, Y2, Y3, Y4, Y5, Y6, Y7, Y8, Y9, Y9', Y10, Y10', Y11,

Preparation method of niraparib tosilate monohydrate

The invention discloses a preparation method of a compound 2-[4-((3S)-3-piperidyl)phenyl]-2H-indazole-7-formamide tosilate monohydrate. The method includes: carrying out Ulman reaction on 1H-indazole-7-methyl formate and (S)-3-(4-halogenophenyl)piperidine-1-tert-butyl formate to prepare 2-[4-((3S)-3-piperidyl)phenyl]-2H-indazole-7-methyl formate, then under the conditions of ammonia gas and p-toluenesulfonic acid, preparing 2-[4-((3S)-3-piperidyl)phenyl]-2H-indazole-7-formamide tosilate monohydrate. The invention aims to avoid the disadvantages of existing methods, shortens the preparation route, and provides the preparation method of the 2-[4-((3S)-3-piperidyl)phenyl]-2H-indazole-7-formamide tosilate monohydrate with high chiral purity, and the method has the characteristics of mild reaction and easy operation.

Process development of C-N cross-coupling and enantioselective biocatalytic reactions for the asymmetric synthesis of niraparib

Process development of the synthesis of the orally active poly(ADP-ribose)polymerase inhibitor niraparib is described. Two new asymmetric routes are reported, which converge on a high-yielding, regioselective, copper-catalyzed Narylation of an indazole derivative as the late-stage fragment coupling step. Novel transaminase-mediated dynamic kinetic resolutions of racemic aldehyde surrogates provided enantioselective syntheses of the 3-aryl-piperidine coupling partner. Conversion of the C-N cross-coupling product to the final API was achieved by deprotection and salt metathesis to isolate the desired crystalline salt form.