1196713-67-3

Basic information

• Product Name: methyl 2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]-phenyl}-2H-indazole-7-carboxylate
• Synonyms: methyl 2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]-phenyl}-2H-indazole-7-carboxylate;Methyl (S)-2-(4-(1-(tert-butoxycarbonyl) piperidin-3-yl)phenyl)-2H-indazole-7-carboxylate
• CAS NO: 1196713-67-3
• Molecular Formula: C₂₅H₂₉N₃O₄
• Molecular Weight: 435.51546
• Mol File: 1196713-67-3.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 502.5±50.0 °C(Predicted)
• Appearance: /
• Density: 1.22±0.1 g/cm3(Predicted)
• PKA: -1.17±0.30(Predicted)
• CAS DataBase Reference: methyl 2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]-phenyl}-2H-indazole-7-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]-phenyl}-2H-indazole-7-carboxylate(1196713-67-3)
• EPA Substance Registry System: methyl 2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]-phenyl}-2H-indazole-7-carboxylate(1196713-67-3)

Safety Data

• Hazardous Substances Data: 1196713-67-3(Hazardous Substances Data)

Usage

General Description

Methyl 2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]-phenyl}-2H-indazole-7-carboxylate is a chemical compound that belongs to the class of indazole carboxylates. It contains a methyl ester group, a phenyl group, and a piperidine group with a tert-butoxycarbonyl protective group. methyl 2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]-phenyl}-2H-indazole-7-carboxylate may have potential pharmacological activities and can be used in the synthesis of various pharmaceuticals and organic compounds. Its structural features make it a promising candidate for drug development and scientific research. Further studies are required to fully understand its biological properties and potential applications in the field of medicine and chemistry.

Upstream product

• 1038916-05-0 tert-butyl (3S)-3-[4-({(1E)-[3-(methoxycarbonyl)-2-nitrophenyl]methylene}amino)phenyl]piperidine-1-carboxylate 
• 171364-83-3 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene 
• 40114-49-6 1-benzyl-3-piperidone 
• 24424-99-5 di-tert-butyl dicarbonate 
• 755752-82-0 1H-indazole-7-carboxylic acid methyl ester 
• 1476776-55-2 (S)-3-(4-bromophenyl)piperidine-1-carboxylic acid tert-butyl ester 
• 1335523-82-4 4-(3S-piperidine-3-yl)bromobenzene 
• 769944-72-1 3-(4-bromo-phenyl)-piperidine 
• 129013-83-8 3-(4-bromophenyl)pyridine 
• 1008-88-4 3-phenylpyridine 
• 1476776-61-0 C₁₁H₁₃BrO₂ 
• 108-86-1 bromobenzene 
• 1476776-66-5 (S)-4-(4-bromophenyl)-5-((tert-butoxycarbonyl)amino)pentyl methanesulfonate 
• 1476776-64-3 (S)-tert-butyl (2-(4-bromophenyl)-5-hydroxypentyl)carbamate 

Downstream Products

• 1038916-11-8 tert-butyl (3S)-3-{4-[7-(aminocarbonyl)-2H-indazol-2-yl]phenyl}piperidine-1-carboxylate 
• 1038915-64-8 (3S)-3-[4-[7-(aminocarbonyl)-2H-indazol-2-yl]phenyl]piperidinium chloride 
• 1038916-08-3 2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]phenyl}-2H-indazole-7-carboxylic acid 
• 1038915-60-4 (3S)-3-[4-{7-(aminocarbonyl)-2H-indazol-2-yl}phenyl]piperidine 

Relevant articles and documents

Derivative based on PARP inhibitor Niraparib and a preparation method and use thereof

The invention discloses a derivative based on a PARP inhibitor Niraparib. The derivative has a structure shown in a formula I as shown in the description, wherein R1 is selected from alkyl, alkoxy, cycloalkyl, aryl alkyl, cycloalkyl alkyl, heterocyclyl, a

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.