3,3-Dimethylglutarimide - ≥99% , CAS No.1123-40-6

CAS: 1123-40-6 Cat. No.: D474484 Formule: C₇H₁₁NO₂ Poids moléculaire: 141.17 Beilstein Registry Number: 21391 Numéro CE: 214-373-4

GRADE & PURITY ≥99%

Synonyms

4,6-piperidinedione | beta,beta-Dimethylglutarimide | A802555 | 2, 4,4-dimethyl- | 2,6-Piperidinedione, 4,4-dimethyl- | NCIOpen2_002161 | SY047201 | NSC 58194 | BRN 0111981 | 4,4-Dimethyl-2,6-piperidinedione | SB12741 | 4,4-dimethyl-piperidine-2,6-dione |

Storage

Room temperature

Vue d’ensemble

Description

Reactant for synthesis of:Spiro-piperidine inhibitors for modulation of the M2 proton channel from influenza A virusSecond-generation selective inhibitors of Hepatitis C virus NS3 serine proteaseSpirocyclic oxetanesRu-catalyzed stereoselective addition of imides to alkynesMetabolically protected arylpiperiazine 5-HT1A ligandsSelective antagonists of the a1d adrenergic receptor

Specifications

Synonymes

4,6-piperidinedione | beta,beta-Dimethylglutarimide | A802555 | 2, 4,4-dimethyl- | 2,6-Piperidinedione, 4,4-dimethyl- | NCIOpen2_002161 | SY047201 | NSC 58194 | BRN 0111981 | 4,4-Dimethyl-2,6-piperidinedione | SB12741 | 4,4-dimethyl-piperidine-2,6-dione |

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Pureté

≥99%

Noms et identifiants

Sourires canoniques

CC1(CC(=O)NC(=O)C1)C

IUPAC Name

4,4-dimethylpiperidine-2,6-dione

InChIKey

YUJCWMGBRDBPDL-UHFFFAOYSA-N

INCHI

1S/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10)

Isomères SMILES

CC1(CC(=O)NC(=O)C1)C

RTECS

MA4348000

Poids moléculaire

141.17

Beilstein

21391

Reaxy-Rn

111981

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111981&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Piperidinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinediones
• Alternative Parents: Delta lactams N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinedione - Delta-lactam - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Lactam - Carboxylic acid derivative - Azacycle - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinediones. These are compounds containing a piperidine ring which bears two ketones.
• 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

Propriétés chimiques et physiques

• Point de fusion (°C): 146 °C
• Poids moléculaire: 141.170 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.079 Da
• Monoisotopic Mass: 141.079 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 166.000
• 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