tert-butyl 3,3-difluoro-octahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate - ≥97% , CAS No.2167470-91-7

CAS: 2167470-91-7 Cat. No.: T631886 Molecular Weight: 262.3 PubChem CID: 135394709

GRADE & PURITY ≥97%

Synonyms

2167470-91-7 | tert-butyl 3,3-difluoro-octahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate | tert-Butyl 3,3-difluorooctahydro-5H-pyrrolo[3,2-c]pyridine-5-carboxylate | MFCD31744065 | AS-84476 | P21070 | 5-Boc-3,3-difluoro-octahydro-1H-pyrrolo[3,2-c]pyridine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2167470-91-7 | tert-butyl 3, 3-difluoro-octahydro-1H-pyrrolo[3, 2-c]pyridine-5-carboxylate | tert-Butyl 3, 3-difluorooctahydro-5H-pyrrolo[3, 2-c]pyridine-5-carboxylate | MFCD31744065 | AS-84476 | P21070 | 5-Boc-3, 3-difluoro-octahydro-1H-pyrrolo[3, 2-c]pyridine

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCC2C(C1)C(CN2)(F)F
• IUPAC Name: tert-butyl 3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate
• InChIKey: JDVNFFNXDUWBPN-UHFFFAOYSA-N
• INCHI: 1S/C12H20F2N2O2/c1-11(2,3)18-10(17)16-5-4-9-8(6-16)12(13,14)7-15-9/h8-9,15H,4-7H2,1-3H3
• PubChem CID: 135394709
• Molecular Weight: 262.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Piperidinecarboxylic acids Pyridines and derivatives Pyrrolidines Carbamate esters Organic carbonic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Piperidinecarboxylic acid - Pyridine - Piperidine - Carbamic acid ester - Pyrrolidine - Carbonic acid derivative - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y