1616761-00-2

Basic information

• Product Name: 3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-yl)(Methyl)aMino)-4-Methylpiperidin-1-yl)-3-oxopropanenitrile
• Synonyms: 3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-yl)(Methyl)aMino)-4-Methylpiperidin-1-yl)-3-oxopropanenitrile;Tofacitinib Impurity 8;3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)
• CAS NO: 1616761-00-2
• Molecular Formula: C16H19ClN6O
• Molecular Weight: 346.81466
• Mol File: 1616761-00-2.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Density: 1.371±0.06 g/cm3(Predicted)
• PKA: 6.06±0.60(Predicted)
• CAS DataBase Reference: 3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-yl)(Methyl)aMino)-4-Methylpiperidin-1-yl)-3-oxopropanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-yl)(Methyl)aMino)-4-Methylpiperidin-1-yl)-3-oxopropanenitrile(1616761-00-2)
• EPA Substance Registry System: 3-((3R,4R)-3-((2-chloro-7H-pyrrolo[2,3-d]pyriMidin-4-yl)(Methyl)aMino)-4-Methylpiperidin-1-yl)-3-oxopropanenitrile(1616761-00-2)

Safety Data

• Hazardous Substances Data: 1616761-00-2(Hazardous Substances Data)

Usage

Uses

N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine is a Tasocitinib (Tofacitinib [T528000]) impurity.

Upstream product

• 1206824-89-6 tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate 
• 934524-10-4 2,4-dichloro-7-p-methylbenzenesulfonyl-7H-pyrrole[2,3-d]pyrimidin-4-amine 
• 477600-70-7 N-(3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine 
• 1616760-97-4 N-((3R,4R)-4-methyl-piperidin-3-yl)-N-methyl-2-chloro-7H-pyrrolo[2,3-D]pyrimidine-4-amine 
• 372-09-8 cyanoacetic acid 

Relevant articles and documents

Tropsch process for cloth intermediate impurity, tofa for cloth impurity and its synthesis method, and Tropsch process for the cloth quality monitoring method

The invention provides a tofacitinib intermediate impurity, tofacitinib impurity and a synthetic method, and a tofacitinib quality monitoring method. The tofacitinib intermediate impurity has a chemical formula in a formula (I), and the tofacitinib impurity has a chemical formula in a formula (II). Through the provided tofacitinib intermediate impurity and the tofacitinib impurity, the invention provides a standard contrast product for monitoring and optimizing quality of N-methyl-N-((3R,4R)-4-methyl piperidine-3-group)-7H-pyrrolo[2,3-D]pyrimidine-4-amine (tofacitinib), and then performs qualitative and quantitative analysis on the tofacitinib intermediate and tofacitinib.