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6-Methyl-4-oxo-2-spiro(N-Boc-piperidine-4-yl)-benzopyran , CAS No.958575-85-4
Disponible para pedir
Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Nombres e identificadores
| Sonrisas canónicas | CC1=CC2=C(C=C1)OC3(CCN(CC3)C(=O)OC(C)(C)C)CC2=O |
|---|---|
| IUPAC Name | tert-butyl 6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate |
| InChIKey | SBLPVMNSMSYIPK-UHFFFAOYSA-N |
| INCHI | 1S/C19H25NO4/c1-13-5-6-16-14(11-13)15(21)12-19(23-16)7-9-20(10-8-19)17(22)24-18(2,3)4/h5-6,11H,7-10,12H2,1-4H3 |
| Peso molecular | 331.4 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Clase Benzopyrans
- Subclass 1-benzopyrans
- Clase Benzopyrans
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromones |
| Alternative Parents | Azaspirodecane derivatives Piperidinecarboxylic acids Aryl alkyl ketones Dihydropyranones Alkyl aryl ethers Benzenoids Alpha-branched alpha,beta-unsaturated ketones Enones Carbamate esters Acryloyl compounds Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - Azaspirodecane - Piperidinecarboxylic acid - Aryl alkyl ketone - Aryl ketone - Dihydropyranone - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Piperidine - Alpha,beta-unsaturated ketone - Carbamic acid ester - Enone - Acryloyl-group - Carbonic acid derivative - Ketone - Oxacycle - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 331.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 331.178 Da |
| Monoisotopic Mass | 331.178 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 502.000 |
| 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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