1-Boc-2-Benzyl-4-piperidinone - ≥98% , CAS No.193480-28-3

CAS: 193480-28-3 Cat. No.: B191836 Peso molecular: 289.37 Número EC: 801-262-6

GRADE & PURITY ≥98%

Synonyms

AM81344 | SCHEMBL582271 | GS-3287 | (+/-)-1,1-dimethylethyl 4-oxo-2-(phenylmethyl)-1-piperidinecarboxylate | MFCD04035610 | FT-0658396 | (+/-)-1,1-dimethylethyl 4-oxo-2-(phenylmethyl)-1-piperidine carboxylate | tert-butyl 2-benzyl-4-oxopiperidine-1-carbox

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AM81344 | SCHEMBL582271 | GS-3287 | (+/-)-1, 1-dimethylethyl 4-oxo-2-(phenylmethyl)-1-piperidinecarboxylate | MFCD04035610 | FT-0658396 | (+/-)-1, 1-dimethylethyl 4-oxo-2-(phenylmethyl)-1-piperidine carboxylate | tert-butyl 2-benzyl-4-oxopiperidine-1-carbox

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC(=O)CC1CC2=CC=CC=C2
• IUPAC Name: tert-butyl 2-benzyl-4-oxopiperidine-1-carboxylate
• InChIKey: LQBXEVOJCOQNTJ-UHFFFAOYSA-N
• INCHI: 1S/C17H23NO3/c1-17(2,3)21-16(20)18-10-9-15(19)12-14(18)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC(=O)CC1CC2=CC=CC=C2
• Peso molecular: 289.37
• Reaxy-Rn: 8697764
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8697764&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzylpiperidines
• Alternative Parents: Piperidinecarboxylic acids Piperidinones Benzene and substituted derivatives Carbamate esters Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-benzylpiperidine - Piperidinecarboxylic acid - Piperidinone - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Ketone - Cyclic ketone - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 2-position of a piperidine.
• 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: 289.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 289.168 Da
• Monoisotopic Mass: 289.168 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 380.000
• 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