(DHQD)₂AQN - ≥98% , CAS No.176298-44-5

CAS: 176298-44-5 Cat. No.: D467156 Formule: C₅₄H₅₆N₄O₆ Poids moléculaire: 857.05 Numéro CE: 634-010-7 PubChem CID: 70700858

GRADE & PURITY ≥98%

Synonyms

AS-73241 | 1,4-bis[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]anthracene-9,10-dione | AKOS016005932 | D78063 | 1,4-Bis((1S)-(6-methoxyquinolin-4-yl)(5-vinylquinuclidin-2-yl)methyl)anthracene-9,10-dione | BHA29844 | 9,10-A

Storage

Room temperature

Vue d’ensemble

Description

(DHQD)2AQN is a biscinchona alkaloid.Superior ligand for asymmetric dihydroxylation reactions of most olefins bearing aliphatic substituents or olefins having heteroatoms in the allylic position.(DHQD)2AQN may be used to:Catalyze the asymmetric cyanation of ketones to form tertiary cyanohydrin carbonates.Facilitate the asymmetric ring opening of terminalN-nosylaziridines with trimethylsilyl cyanide.

Specifications

Synonymes

AS-73241 | 1,4-bis[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]anthracene-9,10-dione | AKOS016005932 | D78063 | 1,4-Bis((1S)-(6-methoxyquinolin-4-yl)(5-vinylquinuclidin-2-yl)methyl)anthracene-9,10-dione | BHA29844 | 9,10-A

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488202161

Sourires canoniques

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)C5=C6C(=C(C=C5)C(C7CC8CCN7CC8C=C)C9=C1C=C(C=CC1=NC=C9)OC)C(=O)C1=CC=CC=C1C6=O

IUPAC Name

1,4-bis[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]anthracene-9,10-dione

InChIKey

QUIOWIWSMQWLNP-XJVYWJENSA-N

INCHI

1S/C54H52N4O4/c1-5-31-29-57-23-19-33(31)25-47(57)49(37-17-21-55-45-15-11-35(61-3)27-43(37)45)41-13-14-42(52-51(41)53(59)39-9-7-8-10-40(39)54(52)60)50(48-26-34-20-24-58(48)30-32(34)6-2)38-18-22-56-46-16-12-36(62-4)28-44(38)46/h5-18,21-22,27-28,31-34,47-50H,1-2,19-20,23-26,29-30H2,3-4H3/t31?,32?,33?,34?,47?,48?,49-,50-/m0/s1

Isomères SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@H](C3CC4CCN3CC4C=C)C5=C6C(=C(C=C5)[C@@H](C7CC8CCN7CC8C=C)C9=C1C=C(C=CC1=NC=C9)OC)C(=O)C1=CC=CC=C1C6=O

PubChem CID

70700858

Poids moléculaire

857.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Sesquiterpenoids Quinolines and derivatives Quinuclidines Aryl ketones Anisoles Aralkylamines Alkyl aryl ethers Pyridines and derivatives Piperidines Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Sesquiterpenoid - Bisabolane sesquiterpenoid - Quinoline - Anisole - Phenol ether - Quinuclidine - Aryl ketone - Alkyl aryl ether - Aralkylamine - Pyridine - Piperidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Ketone - Organoheterocyclic compound - Azacycle - Ether - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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

Propriétés chimiques et physiques

• Rotation spécifique [α]: [α]/D -498°
• Point de fusion (°C): 165
• Poids moléculaire: 821.000 g/mol
• XLogP3: 9.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 820.399 Da
• Monoisotopic Mass: 820.399 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 62
• Formal Charge: 0
• Complexity: 1540.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 6
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 176298-44-5, the molecular formula is C54H56N4O6, and the molecular weight is 857.05 g/mol. InChIKey QUIOWIWSMQWLNP-XJVYWJENSA-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.