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477600-74-1

  • Product NameN-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  • Molecular FormulaC13H19N5
  • Molecular Weight245.327
  • Purity99%
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  • CasNo： 477600-74-1
  • Molecular Formula： C13H19N5
  • Purity： 99%

Trustworthy Manufacturer Supply High Purity N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine 477600-74-1 with Safe Delivery 

  • Molecular Formula:C13H19N5
  • Molecular Weight:245.327
  • Refractive Index:1.636 
  • PKA:13.36±0.50(Predicted) 
  • PSA：56.84000 
  • Density:1.198 g/cm3 
  • LogP:1.72090 

N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine(Cas 477600-74-1) Usage

Uses

N-Methyl-N-((3S,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, is an intermediate in the synthesis of (3S,4R)-Tofacitinib (T528010), an enantiopure stereoisomer of the drug, Janus kinase 3(Jak3) inhibitor (CP-690,550) that has been found to inhibit selected members of the STE7 and STE20 subfamily of kinases.

InChI:InChI=1/C13H19N5/c1-9-3-5-14-7-11(9)18(2)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1

477600-74-1 Relevant articles

Short enantioselective total synthesis of (+)-tofacitinib

Mane, Kishor D.,Kamble, Rohit B.,Suryavanshi, Gurunath

supporting information, (2021/02/20)

An enantioselective total synthesis of T...

Process for the preparation of tofacitinib and intermediates thereof

-

Page/Page column 15-16, (2021/05/07)

Provided is a process for the preparatio...

Synthesis method of tofacitinib citrate

-

Paragraph 0016; 0032-0033; 0036; 0038-0039; 0042; 0044; ..., (2021/12/07)

The invention discloses a tofacitinib ci...

Preparation method of tofacitinib citrate

-

, (2021/04/21)

The invention discloses a preparation me...

477600-74-1 Process route

((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-(7H-pyrrolo[2,3-d]pyrimidine-4-yl)amine

((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-(7H-pyrrolo[2,3-d]pyrimidine-4-yl)amine

tert-butyl (3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carboxylate
477600-74-1

tert-butyl (3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carboxylate

Conditions
Conditions Yield
With palladium 10% on activated carbon; 20% palladium hydroxide-activated charcoal; hydrogen; In methanol; at 45 ℃; under 6000.6 Torr;
93%
With 20% palladium hydroxide-activated charcoal; ammonium formate; In methanol; at 60 ℃; for 6h; Solvent; Reagent/catalyst; Temperature; Inert atmosphere;
93.3%
With 20% palladium hydroxide-activated charcoal; hydrogen; acetic acid; In methanol; water; at 50 ℃; for 12h; under 3000.3 - 4500.45 Torr;
92.38%
With hydrogenchloride; hydrogen; palladium(II) hydroxide/carbon; In ethanol; water; at 20 ℃; for 48h; under 2585.81 Torr;
90%
((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-(7H-pyrrolo[2,3-d]pyrimidine-4-yl)amine; With hydrogen; acetic acid; 20% Pd(OH)2 on carbon; In water; isopropyl alcohol; at 45 - 55 ℃; under 2585.81 Torr;
With sodium hydroxide; water; at 75 - 90 ℃; for 1h; Product distribution / selectivity;
87.3%
With palladium 10% on activated carbon; hydrogen; ammonium formate; In ethanol; at 80 ℃; Temperature; Reagent/catalyst;
83.6%
With formic acid; palladium 10% on activated carbon; In methanol; at 67 - 70 ℃; Reagent/catalyst; Temperature;
82.4%
((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-(7H-pyrrolo[2,3-d]pyrimidine-4-yl)amine; With hydrogen; acetic acid; palladium hydroxide on carbon; In water; isopropyl alcohol; at 50 ℃; for 16h;
With sodium hydroxide; In water; isopropyl alcohol; pH=8;
81%
With palladium 10% on activated carbon; hydrogen; acetic acid; In water; isopropyl alcohol; at 50 ℃; for 16h;
74%
With hydrogen; trifluoroacetic acid; palladium(II) hydroxide; In methanol; for 5.5h; under 2585.81 Torr; in a Parr shaker;
39%
With Pd(OH)2/C; hydrogen; trifluoroacetic acid; In methanol; for 6h; under 2585.81 Torr;
 
With 10 wt% Pd(OH)2 on carbon; hydrogen; In methanol; acetic acid; at 50 ℃; for 6h; under 760.051 Torr;
 
With hydrogen; palladium(II) hydroxide; acetic acid; In water; isopropyl alcohol; at 25 - 30 ℃; for 8h; under 2250.23 - 3000.3 Torr; Temperature; Inert atmosphere; Large scale;
1.24 kg
With 20% palladium hydroxide-activated charcoal; hydrogen; trifluoroacetic acid; In methanol; for 5h; under 3620.13 - 4137.29 Torr;
 
With palladium 10% on activated carbon; ammonium formate; In methanol; for 2h; Concentration; Reflux;
 
Multi-step reaction with 2 steps
1: palladium 10% on activated carbon / methanol / 2 h / 20 - 70 °C
2: potassium carbonate / dichloromethane; water / 1 h / 20 °C
With palladium 10% on activated carbon; potassium carbonate; In methanol; dichloromethane; water;
 
With palladium 10% on activated carbon; hydrogen; In methanol; for 24h;
0.97%
With 20% palladium hydroxide-activated charcoal; hydrogen; acetic acid; In water;
77 g
With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃;
6 g
With palladium 10% on activated carbon; hydrogen; Trimethylacetic acid; In water; at 45 ℃; Reagent/catalyst; Temperature; Solvent; Catalytic behavior;
 
With palladium on carbon; hydrogen; trifluoroacetic acid; In methanol; at 45 ℃; for 12h; under 760.051 Torr;
 
((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-(7H-pyrrolo[2,3-d]pyrimidine-4-yl)amine; With hydrogenchloride; In water; at 20 ℃; pH=3.5 - 4.5;
With 5%-palladium/activated carbon; hydrogen; at 45 - 50 ℃;
 
With palladium 10% on activated carbon; hydrogen; acetic acid; In water; at 50 ℃; for 8h; Temperature;
 
(3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-2-chloro-N-methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine
923036-25-3

(3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-2-chloro-N-methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine

tert-butyl (3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carboxylate
477600-74-1

tert-butyl (3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidine-1-carboxylate

Conditions
Conditions Yield
With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In water; at 65 - 75 ℃; for 3h; under 1551.49 Torr; Inert atmosphere;
96%
With triethylsilane; 5%-palladium/activated carbon; acetic acid; In methanol; at 30 ℃; for 0.166667h;
93.1%
With 10 wt% Pd(OH)2 on carbon; hydrazine hydrate; acetic acid; In ethanol; at 70 - 75 ℃; for 2h; Reagent/catalyst;
75.8%
With hydrogen; 20% Pd(OH)2 on carbon; In water; at 70 - 75 ℃; for 1h; under 2585.81 Torr; Product distribution / selectivity;
 
With hydrogenchloride; palladium on carbon; hydrogen; In water; at 120 ℃; under 2068.65 Torr; Reagent/catalyst; Solvent; Temperature; Pressure;
 
With palladium 10% on activated carbon; hydrogen; acetic acid; In ethanol; water; at 40 ℃; for 4h; under 900.09 Torr; Temperature; Pressure;
 

477600-74-1 Upstream products

  • 923036-25-3
    923036-25-3

    (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-2-chloro-N-methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine

  • 24211-54-9
    24211-54-9

    (S)-5-hydroxypiperidin-2-one

  • 176966-76-0
    176966-76-0

    (5S)-5-tert-butyldiphenylsilyloxy-piperidine-2-one

  • 1500-85-2
    1500-85-2

    7-deazaadenine

477600-74-1 Downstream products

  • 1259404-17-5
    1259404-17-5

    tasocitinib

  • 540737-29-9
    540737-29-9

    Tofacitinib citrate

  • 540737-29-9
    540737-29-9

    tofacitinib hemi-citrate

  • 1675248-18-6
    1675248-18-6

    C18H25N5O3

;

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