Cas no 113216-88-9 (Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)-)

The compound Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)- is a chiral derivative of dihydroquinine, featuring a 4-chlorobenzoate ester group at the 9-position. Its stereospecific (8a,9R) configuration ensures high enantioselectivity, making it valuable in asymmetric synthesis and catalysis. The methoxy and chlorobenzoate substituents enhance its stability and reactivity, particularly in phase-transfer and organocatalytic applications. This derivative is often employed as a ligand or catalyst in stereocontrolled transformations, offering precise control over reaction outcomes. Its well-defined structure and consistent performance make it a reliable choice for research and industrial processes requiring high enantiomeric purity.
Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)- structure
113216-88-9 structure
Product Name:Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)-
CAS No:113216-88-9
MF:C27H29ClN2O3
MW:464.983766317368
CID:130091
PubChem ID:11784547
Update Time:2025-06-11

Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)- Chemical and Physical Properties

Names and Identifiers

    • Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)-
    • [(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate
    • (1R)-((1S,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methyl 4-chlorobenzoate
    • 10,11-dihydroquinine p-chlorobenzoate
    • Dihydroquinine 4-chlorobenzoate
    • Hydroquinine 4-chlorobenzoate
    • O-(4-chlorobenzoyl)-hydroquinine
    • O-(4-Chlorobenzoyl)hydroquinine
    • SureCN3959572
    • Dihydroquinine 4-chlorobenzoate, Hydroquinine 4-chlorobenzoate
    • Cinchonan-9-ol, 10,11-dihydro-6'-Methoxy-, 9-(4-chlorobenzoate), (8α,9R)-
    • DTXSID60472567
    • (R)-((2S,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methyl 4-chlorobenzoate
    • 113216-88-9
    • HYDROQUININE4-CHLOROBENZOATE
    • (R)-[(2S,4S,5R)-5-ETHYL-1-AZABICYCLO[2.2.2]OCTAN-2-YL](6-METHOXYQUINOLIN-4-YL)METHYL 4-CHLOROBENZOATE
    • Hydroquinine 4-chlorobenzoate,98%
    • SCHEMBL3959572
    • (R)-((1S,2S,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methyl 4-chlorobenzoate
    • (1R)-((2S,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methyl 4-chlorobenzoate
    • O-(4-Chlorobenzoyl)hydroquinine, 98%
    • G63203
    • TXVNNFDXQZFMBQ-MFQNCIFPSA-N
    • Inchi： 1S/C27H29ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3/t17-,19-,25-,26+/m0/s1
    • InChI Key： TXVNNFDXQZFMBQ-MFQNCIFPSA-N
    • SMILES： ClC1C=CC(=CC=1)C(=O)O[C@H](C1C=CN=C2C=CC(=CC=12)OC)[C@@H]1C[C@@H]2CCN1C[C@@H]2CC

Computed Properties

  • Exact Mass: 464.18687
  • Monoisotopic Mass: 464.1866705g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 7
  • Complexity: 670
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.9
  • Topological Polar Surface Area: 51.7?2

Experimental Properties

  • Color/Form: powder
  • Density: 1.28
  • Melting Point: 128-130?°C(lit.)
  • Boiling Point: 598°Cat760mmHg
  • Flash Point: 315.5°C
  • Refractive Index: 1.639
  • PSA: 51.66
  • Solubility: Not determined

Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)- Security Information

  • Hazardous Material transportation number：UN 1544
  • WGK Germany：3
  • Safety Instruction： 22-24/25
  • HazardClass：6.1(b)
  • PackingGroup：III
  • Packing Group：III
  • Hazard Level：6.1(b)

Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)- Pricemore >>

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Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)- Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:113216-88-9)Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)-
Order Number:A1198848
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:38
Price ($):156.0

Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)- Related Literature

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Additional information on Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)-

Comprehensive Overview of Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)- (CAS No. 113216-88-9)

The compound Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)- (CAS No. 113216-88-9) is a structurally complex derivative of cinchona alkaloids, which have long been studied for their diverse pharmacological and chemical properties. This specific derivative, characterized by its dihydro-6'-methoxy and 4-chlorobenzoate functional groups, exhibits unique stereochemical and electronic properties that make it a subject of interest in organic synthesis and medicinal chemistry. The (8a,9R) configuration further underscores its chiral significance, which is critical for applications in asymmetric catalysis and drug development.

In recent years, the scientific community has shown growing interest in cinchona alkaloid derivatives due to their potential in addressing modern challenges such as antibiotic resistance and the need for sustainable catalytic processes. Researchers are particularly intrigued by how modifications like the introduction of a 4-chlorobenzoate moiety can enhance the compound's bioavailability or selectivity. This aligns with current trends in green chemistry and precision medicine, where tailored molecular designs are prioritized to minimize environmental impact and maximize therapeutic efficacy.

The synthesis of Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)- often involves multi-step reactions, including esterification and selective hydrogenation, to achieve the desired stereochemistry. Its CAS No. 113216-88-9 serves as a unique identifier in chemical databases, facilitating research reproducibility and regulatory compliance. Analytical techniques such as NMR spectroscopy and HPLC-MS are routinely employed to verify its purity and structural integrity, which are paramount for applications in pharmaceuticals and material science.

From a commercial perspective, this compound is often sought after by laboratories specializing in chiral auxiliaries and asymmetric synthesis. Its utility in constructing enantiomerically pure compounds—a cornerstone of modern drug development—has spurred demand in academic and industrial settings. Furthermore, its potential role in photocatalysis and biocatalysis aligns with the broader shift toward sustainable chemical processes, a topic frequently searched in scientific and environmental forums.

Ongoing research explores the structure-activity relationships (SAR) of Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)-, particularly its interactions with biological targets. Questions about its metabolic stability and toxicity profile are common in pharmacological studies, reflecting user queries in databases like PubMed and Google Scholar. These investigations are essential for unlocking its full potential in therapeutic applications while adhering to safety standards.

In summary, Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)- (CAS No. 113216-88-9) represents a fascinating intersection of traditional alkaloid chemistry and contemporary scientific priorities. Its structural complexity, combined with its relevance to drug discovery and sustainable chemistry, ensures its continued prominence in research and development. As the scientific landscape evolves, this compound is poised to contribute to breakthroughs in multiple disciplines, from medicine to environmental science.

113216-88-9 (Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)-) Related Products

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Amadis Chemical Company Limited
(CAS:113216-88-9)Cinchonan-9-ol,10,11-dihydro-6'-methoxy-, 9-(4-chlorobenzoate), (8a,9R)-
A1198848
Purity:99%
Quantity:1g
Price ($):156.0
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