3-[(3R,4R)-4-methyl-3-[methyl({6-oxo-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-4-yl})-amino]piperidin-1-yl]-3-oxopropanenitrile

Base Information

Chemical Name:3-[(3R,4R)-4-methyl-3-[methyl({6-oxo-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-4-yl})-amino]piperidin-1-yl]-3-oxopropanenitrile
CAS No.:1640971-51-2
Molecular Formula:C₁₆H₂₀N₆O₂
Molecular Weight:328.374
Hs Code.:

Synonyms:3-[(3R,4R)-4-methyl-3-[methyl({6-oxo-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-4-yl})-amino]piperidin-1-yl]-3-oxopropanenitrile

Suppliers and Price of 3-[(3R,4R)-4-methyl-3-[methyl({6-oxo-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-4-yl})-amino]piperidin-1-yl]-3-oxopropanenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

ChemScene
Tofacitinibmetabolite-1 99.01%
5mg
$ 480.00

Total 6 raw suppliers

Chemical Property of 3-[(3R,4R)-4-methyl-3-[methyl({6-oxo-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-4-yl})-amino]piperidin-1-yl]-3-oxopropanenitrile

Chemical Property:

Boiling Point:640.4±55.0 °C(Predicted)
Density:1.312±0.06 g/cm3(Predicted)

Purity/Quality:

NLT 98% ^*data from raw suppliers

Tofacitinibmetabolite-1 99.01% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Technology Process of 3-[(3R,4R)-4-methyl-3-[methyl({6-oxo-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-4-yl})-amino]piperidin-1-yl]-3-oxopropanenitrile

There total 4 articles about 3-[(3R,4R)-4-methyl-3-[methyl({6-oxo-5,7-dihydro-6H-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: 32.0%

: C₁₃H₁₉N₅O

: 372-09-8
cyanoacetic acid

: 1640971-51-2
3-[(3R,4R)-4-methyl-3-[methyl({6-oxo-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-4-yl})-amino]piperidin-1-yl]-3-oxopropanenitrile

Guidance literature:: With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 1.33h; Inert atmosphere; Schlenk technique;
DOI:10.1002/cmdc.201402252

Reference yield:

: 346599-63-1
4-chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

: 1640971-51-2
3-[(3R,4R)-4-methyl-3-[methyl({6-oxo-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-4-yl})-amino]piperidin-1-yl]-3-oxopropanenitrile

Guidance literature:: Multi-step reaction with 3 steps

1: neat (no solvent) / 1 h / 145 °C / Inert atmosphere

2: hydrogen; palladium 10% on activated carbon; 20% palladium hydroxide-activated charcoal / isopropyl alcohol / 36 h / 50 °C / 750.08 Torr

3: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 1.33 h / 20 °C / Inert atmosphere; Schlenk technique

With palladium 10% on activated carbon; 20% palladium hydroxide-activated charcoal; hydrogen; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; isopropyl alcohol;
DOI:10.1002/cmdc.201402252

Reference yield:

: 3680-69-1
4-chloro-1H-pyrrolo[2,3-d]pyrimidine

: 1640971-51-2
3-[(3R,4R)-4-methyl-3-[methyl({6-oxo-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-4-yl})-amino]piperidin-1-yl]-3-oxopropanenitrile

Guidance literature:: Multi-step reaction with 4 steps

1.1: pyridinium hydrobromide perbromide / tert-butyl alcohol / 30 - 35 °C

1.2: 0.5 h / 20 °C

2.1: neat (no solvent) / 1 h / 145 °C / Inert atmosphere

3.1: hydrogen; palladium 10% on activated carbon; 20% palladium hydroxide-activated charcoal / isopropyl alcohol / 36 h / 50 °C / 750.08 Torr

4.1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 1.33 h / 20 °C / Inert atmosphere; Schlenk technique

With palladium 10% on activated carbon; 20% palladium hydroxide-activated charcoal; hydrogen; pyridinium hydrobromide perbromide; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; isopropyl alcohol; tert-butyl alcohol;
DOI:10.1002/cmdc.201402252