Tofacitinib Impurity 6

Base Information

• Chemical Name: Tofacitinib Impurity 6
• CAS No.: 1640972-35-5
• Molecular Formula: C₁₆H₂₂N₆O
• Molecular Weight: 314.39
• Mol file: 1640972-35-5.mol

Synonyms:

Chemical Property of Tofacitinib Impurity 6

Chemical Property:

• Melting Point: >80°C (dec.)
• Boiling Point: 583.2±50.0 °C(Predicted)
• PKA: 6.04±0.60(Predicted)
• Density: 1.239±0.06 g/cm3(Predicted)
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

≥95% ^*data from raw suppliers

5,6-DihydroCP-690550 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 5,6-Dihydro CP-690550 is an impurity of CP-690550 (C781350), a pyrrolo[2,3-d]pyrimidine derivative, as Janus kinase inhibitor for treatment of rheumatoid arthritis.

Technology Process of Tofacitinib Impurity 6

There total 1 articles about Tofacitinib Impurity 6 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:

C13H21N5 + cyanoacetic acid (372-09-8) → tofacitinib (1640972-35-5)

Guidance literature:

C₁₃H₂₁N₅; With hydrogen; In methanol; at 45 ℃; for 72h; under 37503.8 Torr;

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

cyanoacetic acid; In dichloromethane; at 20 ℃; for 10h;

DOI:10.1021/acs.chemrestox.9b00141

upstream raw materials:

cyanoacetic acid

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