934666-39-4

Basic information

• Product Name: 1,1-DiMethylethyl (2S)-2-(3-hydroxyazetidin-3-yl)piperidine-1-carboxylate
• Synonyms: (S)-2-(3-Hydroxyazetidin-3-yl)piperidine-1-carboxylic acid tert-butyl ester;1,1-DiMethylethyl (2S)-2-(3-hydroxyazetidin-3-yl)piperidine-1-carboxylate;Cobimetinib Intermediate;tert-butyl (S)-2-(3-hydroxyazetidin-3-yl)piperidine-1-carboxylate
• CAS NO: 934666-39-4
• Molecular Formula: C13H24N2O3
• Molecular Weight: 256.34126
• Mol File: 934666-39-4.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 381.4±42.0 °C(Predicted)
• Appearance: /
• Density: 1.161±0.06 g/cm3(Predicted)
• PKA: 13.98±0.20(Predicted)
• CAS DataBase Reference: 1,1-DiMethylethyl (2S)-2-(3-hydroxyazetidin-3-yl)piperidine-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1-DiMethylethyl (2S)-2-(3-hydroxyazetidin-3-yl)piperidine-1-carboxylate(934666-39-4)
• EPA Substance Registry System: 1,1-DiMethylethyl (2S)-2-(3-hydroxyazetidin-3-yl)piperidine-1-carboxylate(934666-39-4)

Safety Data

• Hazardous Substances Data: 934666-39-4(Hazardous Substances Data)

Usage

General Description

1,1-DiMethylethyl (2S)-2-(3-hydroxyazetidin-3-yl)piperidine-1-carboxylate is a chemical compound with a complex structure. It is an ester of 3-hydroxyazetidin-3-ylpiperidinecarboxylic acid and 1,1-dimethylethyl. The compound is a derivative of piperidine, which is a heterocyclic organic compound commonly used in pharmaceuticals. The presence of the hydroxyazetidin group indicates potential biological or pharmaceutical applications, as hydroxyazetidin derivatives have been studied for their pharmacological properties. This chemical may have potential as a drug candidate or as a building block for the synthesis of other pharmaceutical compounds.

Upstream product

• 388077-74-5 rac-N-(tert-butoxycarbonyl)piperidine-2-carboxamide 
• 24424-99-5 di-tert-butyl dicarbonate 
• 4043-87-2 pipecolic Acid 
• 98303-20-9 1-(tert-butoxycarbonyl)piperidine-2-carboxylic acid 
• 153749-89-4 2-cyanopiperidine-1-carboxylic acid tert-butyl ester 
• 109-04-6 2-bromo-pyridine 
• 1415560-00-7 C₁₀H₉F₃N₂O₂*ClH 
• 26250-84-0 (S)-(-)-1-(tert-butoxycarbonyl)-2-piperidinecarboxylic acid 
• 3105-95-1 pipecolinic acid 
• 28697-17-8 N-BOC-D-pipecolic acid 

Downstream Products

• 934662-91-6 cobimetinib 
• 934665-56-2 tert-butyl (S)-2-{1-[3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzoyl]-3-hydroxy-3-azetidinyl}perhydropyridine-1-carboxylate 

Relevant articles and documents

PROCESS FOR THE PRODUCTION OF COBIMETINIB

The present invention relates to a novel route of synthesis for the production of enantiomerically pure Cobimetinib, new intermediates in the synthesis of Cobimetinib and an amorphous Cobimetinib hemifumarate salt comprising a high salt content.

Method for synthesizing S-3-(piperidine-2-yl)-azacyclo-azetidine-3-alcohol

The invention discloses a method for synthesizing S-3-(piperidine-2-yl)-azacyclo-azetidine-3-alcohol. The method comprises the following steps: condensing a compound S-N-Boc-piperidine-2-formic acid of a formula A and CDI so as to obtain a compound of a f

Preparation method of cobimetinib

The invention discloses a preparation method of cobimetinib (Cobimetinib, XL518, GDC-0973) (I). The method includes the preparation steps of preparing an intermediate [2-oxo-2-((2S)-1-t-butyloxycarboryl-2-based]acetate through acyl cyanide formation, hydrolysis, esterification and Boc prortection with (2S)-2-pipecolic acid as the raw material, preparing an intermediate (2S)-1-t-butyloxycarboryl-2-(3-azetidinol-3-based)piperidine by conducting the addition reaction, the reduction action and the cyclization reaction on the intermediate body, and making the intermediate (2S)-1-t-butyloxycarboryl-2-(3-azetidinol-3-based)piperidine and a side chain subjected to a condensation reaction to obtain the cobimetinib (I). According to the preparation method, raw materials can be easily obtained, the process is simple, and the method is economical, environmentally friendly and suitable for industrialized production.