(DHQ)2Pyr | CAS No. 149820-65-5

(DHQ)2Pyr

Basic Information

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CAS Number

149820-65-5

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

245-248 °C

Boiling Point

°Cat760mmHg

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-CVCJRGCISA-N

LogP

11.40519999999999

Topological Polar Surface Area

94.96000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 10

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

(DHQ)2Pyr
Hydroquinine 2,5-diphenyl-4,6-pyrimidinediyl diether
AC-30191
(3R,3'R,4S,4'S,6S,6'S)-6,6'-((1R,1'R)-(2,5-diphenylpyrimidine-4,6-diyl)bis(oxy)bis((6-methoxyquinolin-4-yl)methylene))bis(3-ethylquinuclidine)
2,5-Diphenyl-4,6-bis(dihydroquinine)pyrimidine
4-[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(R)-[(2S,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
149820-65-5
J-008628
MFCD00198109
AKOS025396817
AS-56062
C72848
(3R,3'R,4S,4'S,6S,6'S)-6,6'-((1R,1'R)-((2,5-diphenylpyrimidine-4,6-diyl)bis(oxy))bis((6-methoxyquinolin-4-yl)methylene))bis(3-ethylquinuclidine)
Cinchonan,9,9''-[(2,5-diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis[10,11-dihydro-6'-methoxy-,(8a,9R)-(8''a,9''R)-
4-[(R)-[(4R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(R)-[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyquinoline
Cinchonan,9,9''-[(2,5-diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis[10,11-dihydro-6'-methoxy-,(8a,9...
HYDROQUININE 2,5-DIPHENYL-4,6-PYRIMIDINEDIYL DIETHER
hydroquinidine-2,5-diphenyl-4,6-pyrimidinediyl diether
hydroquinine 2,5-diphenyl-4,6-pyri-midinediyl diether
(DHQ)2PYR
2,5-Diphenyl-4,6-bis(9-O-dihydroquininyl)pyrimidine
2,5-Diphenyl-4,6-bis(9-O-dihydroquinyl)pyrimidine
(DHQ)2Pyr,Hydroquinine 2,5-diphenyl-4,6-pyrimidinediyl diether
5-ethyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl}oxy)methyl]-6-methoxyquinoline
(DHQ)2-PYR
(DHQ)2Pyr 97%
Hydroquinine 2,5-diphenyl-4,6-pyrimidinediyl Diether,99%e.e.
(DHQ)2-PYR/2,5-diphenyl-4,6-bis(9-O-dihydroquinyl)pyrimidine
4-[[(4R)-5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[[(5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-

MDL Number

MFCD00198109

FAQ

What are the physical and chemical properties of (DHQ)2Pyr (CAS: 149820-65-5)?

(DHQ)2Pyr is a yellow crystalline solid with a molecular weight of approximately 328.4 g/mol. It is slightly soluble in common organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly towards nucleophilic aromatic substitution reactions. Its solubility and reactivity make it useful in organic synthesis and catalysis.

How is (DHQ)2Pyr (CAS: 149820-65-5) typically synthesized?

(DHQ)2Pyr can be synthesized by the condensation of 1,1'-biphenyl-2,2'-dicarboxaldehyde with 1,1'-biphenyl-2,2'-diol in the presence of a base. Commonly, sodium hydroxide is used as the base to facilitate the reaction, yielding a product with high selectivity and good yield under mild conditions.

What industries use (DHQ)2Pyr (CAS: 149820-65-5)?

(DHQ)2Pyr is used in various industries, including pharmaceuticals for chiral synthesis, organic synthesis for the production of polymers, and sensor technology for detecting specific chemical species. Its applications also extend to semiconductor manufacturing for its role in photolithography processes.

What precautions should be taken when handling (DHQ)2Pyr (CAS: 149820-65-5)?

When handling (DHQ)2Pyr, wear appropriate personal protective equipment (PPE) such as gloves and goggles. Store it in a fume hood to minimize inhalation risks. In case of spill, use appropriate absorbent materials and follow standard laboratory safety procedures. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.