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tert-Butyl 2'-oxo-2'，4'-dihydro-1'H-spiro-[piperidine-4，3'-quinoline]-1-carboxylate - ≥95%, high purity , CAS No.769106-43-6

COA

Grade & Purity:

≥95%

Cas Number: 769106-43-6
Molecular Weight: 316.4
PubChem CID: 56965666

In stock

Item Number

T734046

Grouped product items
SKU	Size	Availability	Price	Qty
T734046-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$6,236.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Quinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinolones
Alternative Parents	Hydroquinolines Piperidinecarboxylic acids Benzenoids Carbamate esters Tertiary amines Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroquinolone - Tetrahydroquinoline - Piperidinecarboxylic acid - Piperidine - Benzenoid - Carbamic acid ester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Amine - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate
INCHI	InChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-10-8-18(9-11-20)12-13-6-4-5-7-14(13)19-15(18)21/h4-7H,8-12H2,1-3H3,(H,19,21)
InChIKey	IMTSIRGIMYGZCV-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC2(CC1)CC3=CC=CC=C3NC2=O
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC2(CC1)CC3=CC=CC=C3NC2=O
PubChem CID	56965666
Molecular Weight	316.4

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	316.400 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	316.179 Da
Monoisotopic Mass	316.179 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	475.000
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

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