(Ra,S,S)-SpiroBOX - ≥97% , CAS No.890090-21-8

CAS: 890090-21-8 Cat. No.: R281646 Formula: C₃₅H₃₀N₂O₂ Peso molecolare: 510.62 Numero EC: 811-446-8 PubChem CID: 16655517

GRADE & PURITY ≥97%

Synonyms

(4S)-4-phenyl-2-[4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-4,5-dihydro-1,3-oxazole | (4S,4'S)-2,2'-(2,2',3,3'-Tetrahydro-1,1'-spirobi[indene]-7,7'-diyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole) | (Ra,S,S)-SpiroBOX |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

(4S)-4-phenyl-2-[4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-4,5-dihydro-1,3-oxazole | (4S,4'S)-2,2'-(2,2',3,3'-Tetrahydro-1,1'-spirobi[indene]-7,7'-diyl)bis(4-phenyl-4,5-dihydro-1,3-oxazole) | (Ra,S,S)-SpiroBOX |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1CC2(CCC3=C2C(=CC=C3)C4=NC(CO4)C5=CC=CC=C5)C6=C1C=CC=C6C7=NC(CO7)C8=CC=CC=C8

IUPAC Name

(4S)-4-phenyl-2-[4'-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-4,5-dihydro-1,3-oxazole

InChIKey

OUEHZICAZAUZFM-NYHVVPQYSA-N

INCHI

1S/C35H30N2O2/c1-3-9-23(10-4-1)29-21-38-33(36-29)27-15-7-13-25-17-19-35(31(25)27)20-18-26-14-8-16-28(32(26)35)34-37-30(22-39-34)24-11-5-2-6-12-24/h1-16,29-30H,17-22H2/t29-,30-,35?/m1/s1

Isomeri SMILES

C1CC2(CCC3=C2C(=CC=C3)C4=N[C@H](CO4)C5=CC=CC=C5)C6=C1C=CC=C6C7=N[C@H](CO7)C8=CC=CC=C8

PubChem CID

16655517

Peso molecolare

510.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Benzene and substituted derivatives Oxazolines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indane - Monocyclic benzene moiety - Oxazoline - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• 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

Proprietà chimiche e fisiche

• Sensibilità: moisture sensitive
• Punto di ebollizione (°C): 712.1±60.0 °C
• Peso molecolare: 510.600 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 510.231 Da
• Monoisotopic Mass: 510.231 Da
• Topological Polar Surface Area: 43.200 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 870.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Domande frequenti

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 890090-21-8, the molecular formula is C35H30N2O2, and the molecular weight is 510.62 g/mol. InChIKey OUEHZICAZAUZFM-NYHVVPQYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.