(8alpha,9R,8'''alpha,9'''R)-9,9'-[1,4-Phthalazinediylbis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan)

Basic Information

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CAS Number

140924-50-1

Molecular Formula

C48H54N6O4

Molecular Weight

779 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

178 ºC (dec.)

Specific Rotation

336 º (c=1.2 in MeOH)

SMILES

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CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)OC(C7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC

InChI

InChI=1S/C48H54N6O4/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3/t29-,30-,31-,32-,43-,44-,45+,46+/m0/s1

InChIKey

YUCBLVFHJWOYDN-PDNPBWJSSA-N

LogP

9.10020

Complexity

1250

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

DTXSID90679582
1-((1R)-((2R,4R,5S)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)-4-((1R)-((2R,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)phthalazine
(DHQ)2PHAL, >=95%
(DHQ)2PHAL
AD-mix alpha
1-[(R)-[(2R,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methoxy]-4-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methoxy]phthalazine
4-[(R)-[(2R,4R,5S)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methoxy]-1-[(R)-[(2R,4S,5R)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methoxy]phthalazine;1,4-Bis((1R)-((1S,2S,4S)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)phthalazine
140924-50-1
1217464-63-5
SCHEMBL15576388
AC-30197
Hydroquinine 1,4-phthalazinediyl diether
YUCBLVFHJWOYDN-PPIALRKJSA-N
A907439
BP-12219
(DHQ)2 -PHAL
4-[(R)-[(2R,4S,5R)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methoxy]-1-[(R)-[(2R,4R,5S)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methoxy]phthalazine
1,4-Bis(9-O-dihydroquinyl)phthalazine
A807708
AD-mix-alpha
EN300-175354
Cinchonan, 9,9''-[1,4-phthalazinediylbis(oxy)]bis[10,11-dihydro-6'-methoxy-, (8alpha,9R)-(8''alpha,9''R)-
(DHQ)2 PHAL
AKOS015950622
NS00024572
(8ALPHA,9R,8'''ALPHA,9'''R)-9,9'-[PHTHALAZINE-1,4-DIYLBIS(OXY)]BIS(6'-METHOXY-10,11-DIHYDROCINCHONAN)
(DHQ)2-PHAL
(3alpha)-6'-Methoxy-9-[(4-{[(4beta)-6'-methoxy-10,11-dihydrocinchonan-9-yl]oxy}phthalazin-1-yl)oxy]-10,11-dihydrocinchonan
4-[(R)-[(2R,4R,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-1-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine
(DHQ)2PHAL ,(DHQ)2PHAL
DHQ

MDL Number

MFCD28014549

Customs Code

2933990090

FAQ

What are the physical and chemical properties of (8alpha,9R,8'''alpha,9'''R)-9,9'-[1,4-Phthalazinediylbis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan) (CAS: 140924-50-1)?

The compound has a crystalline form with a molecular weight of approximately 675.7 g/mol. It is sparingly soluble in water and more soluble in organic solvents like methanol and dimethyl sulfoxide. Chemically, it is stable under normal conditions but can react with strong acids and bases. It is not flammable and has a low reactivity under typical laboratory conditions.

How is (8alpha,9R,8'''alpha,9'''R)-9,9'-[1,4-Phthalazinediylbis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan) (CAS: 140924-50-1) typically synthesized?

The compound is synthesized through a multi-step process involving the formation of a phthalazinediyl bis(ether) intermediate. The key steps include the introduction of methoxy groups and the formation of the phthalazinediyl linkage. Specific conditions such as temperature, pressure, and the use of catalysts like titanium tetrachloride are crucial for achieving high selectivity and yield.

What industries use (8alpha,9R,8'''alpha,9'''R)-9,9'-[1,4-Phthalazinediylbis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan) (CAS: 140924-50-1)?

This compound is primarily used in the pharmaceutical industry for the synthesis of certain drug candidates. It is also utilized in the development of sensors and semiconductors due to its unique chemical structure and physicochemical properties. Its applications in polymers are currently under investigation for new material development.

What precautions should be taken when handling (8alpha,9R,8'''alpha,9'''R)-9,9'-[1,4-Phthalazinediylbis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan) (CAS: 140924-50-1)?

When handling this compound, it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately with appropriate absorbents, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.