2,4-Dioxopiperidine-1-carboxylic acid tert-butyl ester - ≥98% , CAS No.845267-78-9

CAS: 845267-78-9 Cat. No.: D479547 Peso molecular: 213.24 Número EC: 825-755-0

GRADE & PURITY ≥98%

Synonyms

BBL101382 | STL555178 | A840833 | CAS-111-65-9 | 1-Boc-2, 4-piperidinedione | 2,4-Dioxopiperidine-1-carboxylic acid tert-butyl ester, AldrichCPR | MFCD10566071 | Cresol,m- | FT-0647286 | PB14806 | Tert-Butyl 2,4-dioxopiperidine-1-carboxylate | tert-Butyl

Storage

Room temperature

Specifications

Sinónimos

BBL101382 | STL555178 | A840833 | CAS-111-65-9 | 1-Boc-2, 4-piperidinedione | 2, 4-Dioxopiperidine-1-carboxylic acid tert-butyl ester, AldrichCPR | MFCD10566071 | Cresol, m- | FT-0647286 | PB14806 | Tert-Butyl 2, 4-dioxopiperidine-1-carboxylate | tert-Butyl

Especificaciones y pureza

≥98%

Información jurídica

Product of Synthonix

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200604
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC(=O)CC1=O
• IUPAC Name: tert-butyl 2,4-dioxopiperidine-1-carboxylate
• InChIKey: SLCAHLSQXDNQSF-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-4-7(12)6-8(11)13/h4-6H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC(=O)CC1=O
• Peso molecular: 213.24
• Reaxy-Rn: 11292065
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11292065&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: Piperidinediones Delta lactams 1,3-dicarbonyl compounds Dicarboximides Carbamate esters Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Piperidinedione - Delta-lactam - Piperidinone - 1,3-dicarbonyl compound - Dicarboximide - Carbamic acid ester - Ketone - Lactam - Cyclic ketone - Azacycle - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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: 213.230 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 213.1 Da
• Monoisotopic Mass: 213.1 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 303.000
• 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