Account Benzyl (3S,4R)-3-ethyl-4-(3-tosyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)pyrrolidine-1-carboxylate
- Catalog No. :
- ACELNV038
- CAS No. :
- 1708997-42-5
- Molecular Formula :
- C29H29N5O4S
- Molecular Weight :
- 543.65
IUPAC Name:Benzyl (3S,4R)-3-ethyl-4-(3-tosyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)pyrrolidine-1-carboxylate
![Benzyl (3S,4R)-3-ethyl-4-(3-tosyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)pyrrolidine-1-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Benzyl (3S,4R)-3-ethyl-4-(3-tosyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)pyrrolidine-1-carboxylate |
|---|---|
| IUPAC Name | Benzyl (3S,4R)-3-ethyl-4-(3-tosyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)pyrrolidine-1-carboxylate |
| MDL No. | MFCD35455294 |
| Molecular Formula | C29H29N5O4S |
| Molecular Weight | 543.65 |
| SMILES | O=C(N1C[C@@H](CC)[C@@H](C2=CN=C3C=NC(N(S(=O)(C4=CC=C(C)C=C4)=O)C=C5)=C5N32)C1)OCC6=CC=CC=C6 |
| InChI Key | MCBXXQJEBJJFFW-VWNXMTODSA-N |
| Synonym | 1-Pyrrolidinecarboxylic acid, 3-ethyl-4-[3-[(4-methylphenyl)sulfonyl]-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl]-, phenylmethyl ester, (3S,4R)-;Upadacitinib Impurity 5;(3R,4S)-benzyl 3-ethyl-4-(3-tosyl-3a,9a-di hydro-3H-imidazo[1,2-a]p yrrolo[2,3-e]pyrazin-8-yl)p yrrolidine-1-carboxylate;benzyl (3S,4R)-3-ethyl-4-(3-tosyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)pyrrolidine-1-carboxylate;Upatinib impurity 5;Upadacitinib Impurity 03 |
| CAS No. | 1708997-42-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACELNV038 Molecular Building Block Synthetic Route
8-((3R,4S)-4-Ethylpyrrolidin-3-yl)-3-tosyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine
(3S,4R)-3-ethyl-4-(3-tosyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
benzyl (3S,4R)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)pyrrolidine-1-carboxylate