tert-Butyl 1-oxo-1,3-dihydrospiro[indene-2,4'-piperidine]-1'-carboxylate - ≥98% , CAS No.1228079-29-5

CAS: 1228079-29-5 Cat. No.: T586702 Molecular Weight: 301.39 EC Number: 876-775-1 PubChem CID: 23367764

GRADE & PURITY ≥98%

Synonyms

SCHEMBL1912719 | tert-Butyl1-oxo-1,3-dihydrospiro[indene-2,4'-piperidine]-1'-carboxylate | Z1508691399 | AKOS027254118 | SB32040 | tert-Butyl 1-oxo-1,3-dihydro-1'H-spiro[indene-2,4'-piperidine]-1'-carboxylate | tert-butyl 3-oxospiro[1H-indene-2,4'-piperid

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL1912719 | tert-Butyl1-oxo-1, 3-dihydrospiro[indene-2, 4'-piperidine]-1'-carboxylate | Z1508691399 | AKOS027254118 | SB32040 | tert-Butyl 1-oxo-1, 3-dihydro-1'H-spiro[indene-2, 4'-piperidine]-1'-carboxylate | tert-butyl 3-oxospiro[1H-indene-2, 4'-piperid

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCC2(CC1)CC3=CC=CC=C3C2=O
• IUPAC Name: tert-butyl 3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
• InChIKey: WYDRCMKCBWMSNK-UHFFFAOYSA-N
• INCHI: 1S/C18H23NO3/c1-17(2,3)22-16(21)19-10-8-18(9-11-19)12-13-6-4-5-7-14(13)15(18)20/h4-7H,8-12H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC3=CC=CC=C3C2=O
• Alternate CAS: 1228079-29-5
• PubChem CID: 23367764
• Molecular Weight: 301.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Piperidinecarboxylic acids Aryl alkyl ketones Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indanone - Piperidinecarboxylic acid - Aryl ketone - Aryl alkyl ketone - Piperidine - Carbamic acid ester - Ketone - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone 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

Chemical and Physical Properties

• Molecular Weight: 301.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 301.168 Da
• Monoisotopic Mass: 301.168 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 457.000
• 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