Account BUTYL 3-[(3R,4R)-4-METHYL-3-[METHYL({7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PIPERIDIN-1-YL]-3-OXOPROPANOATE
- Catalog No. :
- ACFIAO254
- CAS No. :
- 2227199-31-5
- Molecular Formula :
- C20H29N5O3
- Molecular Weight :
- 387.48
IUPAC Name:butyl 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoate
![BUTYL 3-[(3R,4R)-4-METHYL-3-[METHYL({7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PIPERIDIN-1-YL]-3-OXOPROPANOATE structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | BUTYL 3-[(3R,4R)-4-METHYL-3-[METHYL({7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PIPERIDIN-1-YL]-3-OXOPROPANOATE |
|---|---|
| IUPAC Name | butyl 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoate |
| Molecular Formula | C20H29N5O3 |
| Molecular Weight | 387.48 |
| SMILES | CCCCOC(CC(N1CC[C@@H](C)[C@H](C1)N(C)C2=NC=NC3=C2C=CN3)=O)=O |
| InChI Key | IQFJFTIXSPNYQX-ZBFHGGJFSA-N |
| Synonym | Tofacitib related impurities 40;Butyl 3-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanoate;N-Butyl 3-Oxopropanoate Tofacitinib;Tofatinib Impurity 12;Butyl 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoate (Tofacitinib Impurity）;1-Piperidinepropanoic acid, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, butyl ester, (3R,4R)-;Butyl 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoate;3-(3R,4R)-3-(6,7-dihydro-5H-pyrrolo[2,3d]pyrimidin-4-yl x(methyl)amino)4-methylpiperidin-1-yl)-3-oxopropionic acid]butyl ester |
| CAS No. | 2227199-31-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACFIAO254 Molecular Building Block Synthetic Route
Ethyl 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoate
methyl 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoate
3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoic acid