Ethyl 1-N-Boc-3-oxopiperidine-4-carboxylate - ≥97% , CAS No.71233-25-5

CAS: 71233-25-5 Cat. No.: T177261 Peso molecular: 271.31 Número EC: 811-047-9

GRADE & PURITY ≥97%

Synonyms

PD065656 | 3-OXO-PIPERIDINE-1,4-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 4-ETHYL ESTER | 3-Oxopiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester | ETHYL 1-BOC-3-OXOPIPERIDINE-4-CARBOXYLATE | STL557544 | 1-(tert-Butoxycarbonyl)-3-oxopiperidine-4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

PD065656 | 3-OXO-PIPERIDINE-1, 4-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 4-ETHYL ESTER | 3-Oxopiperidine-1, 4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester | ETHYL 1-BOC-3-OXOPIPERIDINE-4-CARBOXYLATE | STL557544 | 1-(tert-Butoxycarbonyl)-3-oxopiperidine-4

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1CCN(CC1=O)C(=O)OC(C)(C)C
• IUPAC Name: 1-O-tert-butyl 4-O-ethyl 3-oxopiperidine-1,4-dicarboxylate
• InChIKey: WCTXJAXKORIYNA-UHFFFAOYSA-N
• INCHI: 1S/C13H21NO5/c1-5-18-11(16)9-6-7-14(8-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
• Isómeros SMILES: CCOC(=O)C1CCN(CC1=O)C(=O)OC(C)(C)C
• CAS alternativo: 206111-40-2
• Peso molecular: 271.31

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: Piperidinones 1,3-dicarbonyl compounds Carbamate esters Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Piperidinone - 1,3-dicarbonyl compound - Carbamic acid ester - Carboxylic acid ester - Ketone - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - 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: 271.310 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 271.142 Da
• Monoisotopic Mass: 271.142 Da
• Topological Polar Surface Area: 72.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 372.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1