1-tert-butyl 3-methyl 5-(trifluoromethyl)piperidine-1,3-dicarboxylate - ≥97% , CAS No.2227206-57-5

CAS: 2227206-57-5 Cat. No.: T632256 Molecular Weight: 311.3 PubChem CID: 135135275

GRADE & PURITY ≥97%

Synonyms

1-tert-Butyl 3-methyl 5-(trifluoromethyl)piperidine-1,3-dicarboxylate | 1,3-Piperidinedicarboxylic acid, 5-(trifluoromethyl)-, 1-(1,1-dimethylethyl) 3-methyl ester | DTXSID301120995 | MFCD30803984 | NONJHXVASFECAD-UHFFFAOYSA-N | 1-Boc-5-(trifluoromethyl)p

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-tert-Butyl 3-methyl 5-(trifluoromethyl)piperidine-1, 3-dicarboxylate | 1, 3-Piperidinedicarboxylic acid, 5-(trifluoromethyl)-, 1-(1, 1-dimethylethyl) 3-methyl ester | DTXSID301120995 | MFCD30803984 | NONJHXVASFECAD-UHFFFAOYSA-N | 1-Boc-5-(trifluoromethyl)p

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CC(CC(C1)C(F)(F)F)C(=O)OC
• IUPAC Name: 1-O-tert-butyl 3-O-methyl 5-(trifluoromethyl)piperidine-1,3-dicarboxylate
• InChIKey: NONJHXVASFECAD-UHFFFAOYSA-N
• INCHI: 1S/C13H20F3NO4/c1-12(2,3)21-11(19)17-6-8(10(18)20-4)5-9(7-17)13(14,15)16/h8-9H,5-7H2,1-4H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC(CC(C1)C(F)(F)F)C(=O)OC
• Alternate CAS: 2227206-57-5
• PubChem CID: 135135275
• Molecular Weight: 311.3

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: Fatty acid esters Methyl esters Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Fatty acid ester - Fatty acyl - Methyl ester - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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