9-Amino-(9-deoxy)epi-dihydroquinine trihydrochloride

Basic Information

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CAS Number

931098-91-8

Molecular Formula

C20H30Cl3N3O

Molecular Weight

434.84 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)N.Cl.Cl.Cl

InChI

InChI=1S/C20H27N3O.3ClH/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18;;;/h4-6,8,11,13-14,19-20H,3,7,9-10,12,21H2,1-2H3;3*1H/t13-,14-,19-,20-;;;/m0.../s1

InChIKey

QINKDORAGBPFFS-HVHHAJEFSA-N

LogP

4.629000000000006

Topological Polar Surface Area

51.38 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

431

Synonyms & References

English

(S)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanamine,trihydrochloride
9-Amino-(9-deoxy)epi-dihydroquinine trihydrochloride
(1S)-1-[(2S,4S,5R)-5-ETHYL-1-AZABICYCLO[2.2.2]OCTAN-2-YL]-1-(6-METHOXYQUINOLIN-4-YL)METHANAMINE TRIHYDROCHLORIDE
(8,9S)-10,11-Dihydro-6'-methoxycinchonan-9-amineTrihydrochloride
931098-91-8
(3alpha,8alpha)-6'-Methoxy-10,11-dihydrocinchonan-9-amine--hydrogen chloride (1/3)
AS-69109
AKOS037646478
DTXSID20746312
(S)-[(2S,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanamine;trihydrochloride
(8alpha,9S)-10,11-Dihydro-6'-methoxycinchonan-9-amine trihydrochloride, 90%

MDL Number

MFCD16875655

FAQ

What are the physical and chemical properties of 9-Amino-(9-deoxy)epi-dihydroquinine trihydrochloride (CAS: 931098-91-8)?

9-Amino-(9-deoxy)epi-dihydroquinine trihydrochloride is a white crystalline powder with a molecular weight of approximately 532.82 g/mol. It is soluble in water and ethanol. This compound exhibits moderate reactivity, particularly in acidic conditions. It is stable under normal storage conditions but should be protected from moisture and light.

How is 9-Amino-(9-deoxy)epi-dihydroquinine trihydrochloride (CAS: 931098-91-8) typically synthesized?

9-Amino-(9-deoxy)epi-dihydroquinine trihydrochloride is synthesized through a multi-step process involving the reduction of a dihydroquinone derivative, followed by amino substitution. Common catalysts include palladium-based complexes, and the overall yield is around 80%. The process requires careful control of reaction conditions to ensure high selectivity and purity.

What industries use 9-Amino-(9-deoxy)epi-dihydroquinine trihydrochloride (CAS: 931098-91-8)?

9-Amino-(9-deoxy)epi-dihydroquinine trihydrochloride is primarily used in pharmaceuticals for its potential as a bioactive compound. It is also explored in sensor technology for its reactivity and stability under various conditions. Additionally, it has applications in the development of novel materials due to its unique chemical properties.

What precautions should be taken when handling 9-Amino-(9-deoxy)epi-dihydroquinine trihydrochloride (CAS: 931098-91-8)?

When handling 9-Amino-(9-deoxy)epi-dihydroquinine trihydrochloride, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up carefully following standard protocols, and the substance should be stored in a cool, dry place away from direct sunlight. Always refer to the Safety Data Sheet (SDS) for detailed information and emergency procedures.