N-Methyl-N-((3R,4R)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine dihydrochloride

Base Information

• Chemical Name: N-Methyl-N-((3R,4R)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine dihydrochloride
• CAS No.: 1260590-51-9
• Molecular Formula: C13H21Cl2N5
• Molecular Weight: 318.24534
• Mol file: 1260590-51-9.mol

Synonyms:N-Methyl-N-((3R,4R)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine dihydrochloride;N-Methyl-N-((3R,4R)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-amine dihydrochloride (N-1 HCl)

Chemical Property of N-Methyl-N-((3R,4R)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine dihydrochloride

Chemical Property:

• PSA: 56.84000
• LogP: 2.52290
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Aqueous Acid (Slightly, Sonicated), Aqueous Base (Slightly), Water (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

N-Methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-7H-Pyrrolo[2,3-d]pyrimidin-4-amineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: N-Methyl-N-[(3R,4R)-4-methyl-3-piperidinyl]-7H-Pyrrolo[2,3-d]pyrimidin-4-amine Hydrochloride, is a substance used in the identification of related substances in the degradation products of tofacitinib citrate using LC-MS technique for process monitoring and quality assurance. A reagent for the synthesis of Tofacitinib (CP-690,550), a Janus tyrosine kinase (JAK3) specific inhibitor.

Technology Process of N-Methyl-N-((3R,4R)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine dihydrochloride

There total 20 articles about N-Methyl-N-((3R,4R)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine dihydrochloride 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: 98.0%

((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-(7H-pyrrolo[2,3-d]pyrimidine-4-yl)amine → ((3R,4R)-4-methylpiperidin-3-yl)-N-methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine dihydrochloride (1260590-51-9)

Guidance literature:

With 10 wt% Pd(OH)2 on carbon; hydrogen; In ethanol; at 61 ℃; for 3h; under 760.051 Torr; Temperature; Large scale;

Reference yield: 90.0%

C28H31N5O2 → ((3R,4R)-4-methylpiperidin-3-yl)-N-methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine dihydrochloride (1260590-51-9)

Guidance literature:

C₂₈H₃₁N₅O₂; With palladium 10% on activated carbon; In methanol; at 50 - 55 ℃; under 5250.53 - 6000.6 Torr;

With hydrogenchloride; In ethanol; water; at 20 - 35 ℃;

Reference yield:

(3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-2-chloro-N-methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine (923036-25-3) → N-methyl-N-((3R,4R)-4-methylpiperidine-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride (1260590-51-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In water; isopropyl alcohol; at 70 ℃; for 8h; under 750.075 - 1500.15 Torr; Large scale;

upstream raw materials:

4-methylpyridin-3-ol

tert-butyl 4-methyl-3-oxopiperidine-1-carboxylate

(3R,4R)-3-methylamino-4-methylpiperidine-1-carboxylic acid tert-butyl ester

N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methylamine dihydrochloride

Downstream raw materials:

tasocitinib

Tofacitinib citrate