1,2,2,6,6-Pentamethyl-4-piperidone - ≥98% , CAS No.5554-54-1

CAS: 5554-54-1 Cat. No.: P400282 Molecular Weight: 169.26 EC Number: 628-282-6 PubChem CID: 241955

GRADE & PURITY ≥98%

Synonyms

1,2,2,6,6-Pentamethyl-4-piperidone | AKOS005255299 | MFCD00234684 | AS-55185 | GHJUORCGZFHNKG-UHFFFAOYSA-N | STL556621 | 1,2,2,6,6-pentamethyl-piperidin-4-one | 1,2,2,6,6-pentamethylpiperidin-4-one | SB41142 | GEO-02088 | 1,2,2,6,6-Pentamethyl-4-piperidon

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Introduction

1,2,2,6,6-Pentamethyl-4-piperidone is an intermediate for preparing pentamethylpiperidines of pharmacological importance. Its conformational analysis based on proton magnetic resonance spectra, dipole moments and molar Kerr constant have been reported.

Application

1,2,2,6,6-Pentamethyl-4-piperidone may be used in the preparation of 1-phenyl-2,2,6,6-tetramethyl-4-phenyliminopiperidine and 1-benzyl-2,2,6,6-tetramethyl-4-benzyliminopiperidine.

Specifications

Synonyms

1, 2, 2, 6, 6-Pentamethyl-4-piperidone | AKOS005255299 | MFCD00234684 | AS-55185 | GHJUORCGZFHNKG-UHFFFAOYSA-N | STL556621 | 1, 2, 2, 6, 6-pentamethyl-piperidin-4-one | 1, 2, 2, 6, 6-pentamethylpiperidin-4-one | SB41142 | GEO-02088 | 1, 2, 2, 6, 6-Pentamethyl-4-piperidon

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758053
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758053
• Canonical Smiles: CC1(CC(=O)CC(N1C)(C)C)C
• IUPAC Name: 1,2,2,6,6-pentamethylpiperidin-4-one
• InChIKey: GHJUORCGZFHNKG-UHFFFAOYSA-N
• INCHI: 1S/C10H19NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h6-7H2,1-5H3
• Isomeric SMILES: CC1(CC(=O)CC(N1C)(C)C)C
• WGK Germany: 3
• PubChem CID: 241955
• Molecular Weight: 169.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinones
• Alternative Parents: Trialkylamines Cyclic ketones Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinone - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
• 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

Chemical and Physical Properties

• Refractive Index: 1.476
• Flash Point(°F): 195.8 °F
• Flash Point(°C): 91 °C
• Boil Point(°C): 230-231 °C
• Molecular Weight: 169.260 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 169.147 Da
• Monoisotopic Mass: 169.147 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 186.000
• 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