tert-Butyl 5-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate - ≥95% , CAS No.1160247-30-2

CAS: 1160247-30-2 Cat. No.: T998823 Peso molecular: 380.27 Número EC: 113-626-5 PubChem CID: 49760954
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
50mg
T998823-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
443,90US$
250mg
T998823-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.257,90US$
1g
T998823-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
2.616,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C3=C2C=CC(=C3)Br
IUPAC Nametert-butyl 5-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
InChIKeyZYHGCPHMBLZTFS-UHFFFAOYSA-N
INCHI1S/C18H22BrNO3/c1-17(2,3)23-16(22)20-8-6-18(7-9-20)11-15(21)13-10-12(19)4-5-14(13)18/h4-5,10H,6-9,11H2,1-3H3
Isómeros SMILES CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C3=C2C=CC(=C3)Br
PubChem CID 49760954
Peso molecular 380.27

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 →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseIndanes
SubclassIndanones
Intermediate Tree Nodes Not available
Direct ParentIndanones
Alternative Parents Piperidinecarboxylic acids  Aryl alkyl ketones  Aryl bromides  Carbamate esters  Tertiary amines  Azacyclic compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indanone - Piperidinecarboxylic acid - Aryl alkyl ketone - Aryl ketone - Aryl bromide - Aryl halide - Piperidine - Carbamic acid ester - Tertiary amine - Ketone - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
DescripciónThis 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
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 molecular380.300 g/mol
XLogP33.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass379.078 Da
Monoisotopic Mass379.078 Da
Topological Polar Surface Area46.600 Ų
Heavy Atom Count23
Formal Charge0
Complexity491.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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