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

CAS: 1123-40-6 Cat. No.: D474484 Summenformel: C₇H₁₁NO₂ Molekulargewicht: 141.17 Beilstein Registry Number: 21391 EG-Nummer: 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

Übersicht

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

Synonyme

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 |

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: 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)
• Isomere SMILES: CC1(CC(=O)NC(=O)C1)C
• RTECS: MA4348000
• Molekulargewicht: 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
    • Klasse Piperidines
      • Subclass Piperidinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 146 °C
• Molekulargewicht: 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