tert-butyl (3R)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate - ≥97% , CAS No.2165642-76-0

CAS: 2165642-76-0 Cat. No.: T631824 Molecular Weight: 218.27 PubChem CID: 97057035

GRADE & PURITY ≥97%

Synonyms

2165642-76-0 | tert-Butyl (3R)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate | E88501 | tert-Butyl(3R)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2165642-76-0 | tert-Butyl (3R)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate | E88501 | tert-Butyl(3R)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCC(C1)(CF)N
• IUPAC Name: tert-butyl (3R)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
• InChIKey: VCUPYPHVRNFASM-JTQLQIEISA-N
• INCHI: 1S/C10H19FN2O2/c1-9(2,3)15-8(14)13-5-4-10(12,6-11)7-13/h4-7,12H2,1-3H3/t10-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC[C@@](C1)(CF)N
• PubChem CID: 97057035
• Molecular Weight: 218.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Carbamate esters Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Carbamic acid ester - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alkyl halide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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