3-((3S,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile

Base Information

• Chemical Name: 3-((3S,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
• CAS No.: 1092578-47-6
• Molecular Formula: C16H20N6O
• Molecular Weight: 312.37
• Mol file: 1092578-47-6.mol

Synonyms:3-((3S,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile;CS-1108;(3S,4S)-Tofacitinib;3-((3S,4S)-3-((1H-Indol-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropan-enitrile;

Chemical Property of 3-((3S,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile

Chemical Property:

• PKA: 6.04±0.60(Predicted)
• PSA: 88.91000
• Density: 1.296 g/cm³
• LogP: 1.48268

Purity/Quality:

98%,99%, ^*data from raw suppliers

(3S,4S)-Tofacitinib ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (3S,4S)-Tofacitinib is an enantiopure stereoisomer of the drug, Janus kinase 3(Jak3) inhibitor(CP-690,550).

Technology Process of 3-((3S,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile

There total 1 articles about 3-((3S,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-methyl-N-((3S,4S)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (1260614-73-0) + cyanoacetic acid (372-09-8) → tofacitinib (1092578-47-6,1259404-17-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; for 0.5h;

DOI:10.1021/jm801142b

upstream raw materials:

N-methyl-N-((3S,4S)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

cyanoacetic acid

Refernces