(9S,9'''S)-9,9'-[(2,5-Diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan)

Basic Information

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CAS Number

149725-81-5

Molecular Formula

C56H60N6O4

Molecular Weight

881.1 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

247-250 °C

Solubility

Insuluble (3.6E-6 g/L) (25 ºC),

Refractive Index

1.69

SMILES

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CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=C(C(=NC(=N5)C6=CC=CC=C6)OC(C7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC)C1=CC=CC=C1

InChI

InChI=1S/C56H60N6O4/c1-5-35-33-61-27-23-39(35)29-49(61)52(43-21-25-57-47-19-17-41(63-3)31-45(43)47)65-55-51(37-13-9-7-10-14-37)56(60-54(59-55)38-15-11-8-12-16-38)66-53(50-30-40-24-28-62(50)34-36(40)6-2)44-22-26-58-48-20-18-42(64-4)32-46(44)48/h7-22,25-26,31-32,35-36,39-40,49-50,52-53H,5-6,23-24,27-30,33-34H2,1-4H3/t35-,36-,39-,40-,49+,50+,52-,53-/m0/s1

InChIKey

SWKRDCRSJPRVNF-DOGDSVMGSA-N

LogP

11.28100

Complexity

1440

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Hydroquinidine 2,5-diphenyl-4,6-pyrimidinediyl diether
AC-30193
J-008615
(DHQD)2Pyr
Hydroquinidine-2,5-diphenyl-4,6-pyri-midinediyl diether
SWKRDCRSJPRVNF-DOGDSVMGSA-N
4-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyquinoline
149725-81-5
(3R,3'R,4S,4'S,6R,6'R)-6,6'-((1S,1'S)-(2,5-diphenylpyrimidine-4,6-diyl)bis(oxy)bis((6-methoxyquinolin-4-yl)methylene))bis(3-ethylquinuclidine)
D83249
AKOS025394384
MFCD00198108
4-[(R)-[(2S)-5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(R)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyquinoline
ZFA72581
(DHQD)2Pyr, 97%
CS-W011380
DTXSID80437870
(1S,1'S,3R,3'R,4S,4'S,6R,6'R)-6,6'-((1S,1'S)-((2,5-Diphenylpyrimidine-4,6-diyl)bis(oxy))bis((6-methoxyquinolin-4-yl)methylene))bis(3-ethylquinuclidine)
(DHQD)2-PYR
Cinchonan,9,9''-[(2,5-diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis[10,11-dihydro-6'-methoxy-,(9S,9''S)-
4-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyqui
Cinchonan,9,9''-[(2,5-diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis[10,11-dihydro-6'-methoxy-,(9S,9...
hydroquinidine 2,5-diphenyl-4,6-pyri-midinediyl diether
HYDROQUINIDINE-2,5-DIPHENYL-4,6-PYRIMIDINEDIYL DIETHER
2,5-Diphenyl-4,6-bis(dihydroquinidine)pyrimidine
HYDROQUINIDINE 2,5-DIPHENYL-4,6-PYRIMIDINEDIYL DIETHER
(DHQD)2Pyr,Hydroquinidine-2,5-diphenyl-4,6-pyrimidinediyl diether
6,6-((1S)-((2,5-Diphenylpyrimidine-4,6-diyl)bis(oxy))bis((6-methoxyquinolin-4-yl)methylene))bis(3-vinylquinuclidine)
(DHQD)2Pyr 97%
Hydroquinidine-2,5-diphenyl-4,6-pyrimidinediyl Diether,99%e.e.

MDL Number

MFCD00198108

FAQ

What are the physical and chemical properties of (9S,9'''S)-9,9'-[(2,5-Diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan) (CAS: 149725-81-5)?

The compound (9S,9'''S)-9,9'-[(2,5-Diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan) is a crystalline solid with a high molecular weight. It has low solubility in water but good solubility in organic solvents. The compound is relatively stable under normal conditions but can react with strong acids or bases. It exhibits good reactivity towards nucleophiles and electrophiles.

How is (9S,9'''S)-9,9'-[(2,5-Diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan) (CAS: 149725-81-5) typically synthesized?

(9S,9'''S)-9,9'-[(2,5-Diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan) can be synthesized via a multi-step process involving the condensation of 2,5-diphenylpyrimidine-4,6-dione with 6'-methoxy-10,11-dihydrocinchonane. The reaction typically requires the use of a Lewis acid catalyst and proceeds with high selectivity and moderate yield.

What industries use (9S,9'''S)-9,9'-[(2,5-Diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan) (CAS: 149725-81-5)?

(9S,9'''S)-9,9'-[(2,5-Diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan) is primarily used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients. It may also have applications in the polymer industry for the production of functional polymers and in the sensor industry for the development of chemical sensors.

What precautions should be taken when handling (9S,9'''S)-9,9'-[(2,5-Diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan) (CAS: 149725-81-5)?

When handling (9S,9'''S)-9,9'-[(2,5-Diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis(6'-methoxy-10,11-dihydrocinchonan), it is essential to wear appropriate personal protective equipment (PPE), including gloves, lab coat, and safety goggles. The compound should be handled in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up immediately using appropriate materials. Always refer to the safety data sheet (SDS) for detailed information on handling and storage.