(4S)-1-tert-butoxycarbonyl-3,3-difluoro-piperidine-4-carboxylic acid - ≥97% , CAS No.2197504-56-4

CAS: 2197504-56-4 Cat. No.: T632078 Molecular Weight: 265.25 PubChem CID: 97291626

GRADE & PURITY ≥97%

Synonyms

2197504-56-4 | 1,4-Piperidinedicarboxylic acid, 3,3-difluoro-, 1-(1,1-dimethylethyl) ester, (4S)- | (S)-1-(tert-Butoxycarbonyl)-3,3-difluoropiperidine-4-carboxylic acid | starbld0011608 | (4S)-1-tert-butoxycarbonyl-3,3-difluoro-piperidine-4-carboxylic aci

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2197504-56-4 | 1, 4-Piperidinedicarboxylic acid, 3, 3-difluoro-, 1-(1, 1-dimethylethyl) ester, (4S)- | (S)-1-(tert-Butoxycarbonyl)-3, 3-difluoropiperidine-4-carboxylic acid | starbld0011608 | (4S)-1-tert-butoxycarbonyl-3, 3-difluoro-piperidine-4-carboxylic aci

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCC(C(C1)(F)F)C(=O)O
• IUPAC Name: (4S)-3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
• InChIKey: HZMYOCGJMSBEDV-ZETCQYMHSA-N
• INCHI: 1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-4-7(8(15)16)11(12,13)6-14/h7H,4-6H2,1-3H3,(H,15,16)/t7-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC[C@H](C(C1)(F)F)C(=O)O
• PubChem CID: 97291626
• Molecular Weight: 265.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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