Ethyl n-boc-4-fluoropiperidine-4-carboxylate - ≥96% , CAS No.416852-82-9

CAS: 416852-82-9 Cat. No.: E184444 Peso molecular: 275.32

GRADE & PURITY ≥96%

Synonyms

4-Fluoro-1-(1,1-dimethylethyl)1,4-piperidinedicarboxylic acid-4-ethyl ester | MFCD03840830 | 1-tert-butyl 4-ethyl 4-fluoropiperidine-1,4-dicarboxylate | Ethyl N-Boc-4-fluoropiperidine-4-carboxylate | 1-(tert-butyl) 4-ethyl 4-fluoropiperidine-1,4-dicarboxy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4-Fluoro-1-(1, 1-dimethylethyl)1, 4-piperidinedicarboxylic acid-4-ethyl ester | MFCD03840830 | 1-tert-butyl 4-ethyl 4-fluoropiperidine-1, 4-dicarboxylate | Ethyl N-Boc-4-fluoropiperidine-4-carboxylate | 1-(tert-butyl) 4-ethyl 4-fluoropiperidine-1, 4-dicarboxy

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)F
• IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-fluoropiperidine-1,4-dicarboxylate
• InChIKey: ABBIQGVRIOLJNV-UHFFFAOYSA-N
• INCHI: 1S/C13H22FNO4/c1-5-18-10(16)13(14)6-8-15(9-7-13)11(17)19-12(2,3)4/h5-9H2,1-4H3
• Isómeros SMILES: CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)F
• Peso molecular: 275.32
• Reaxy-Rn: 14227040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14227040&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Carbamate esters Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 275.320 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 275.153 Da
• Monoisotopic Mass: 275.153 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 343.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1