(DHQD)2Pyr

Base Information

• Chemical Name: (DHQD)2Pyr
• CAS No.: 149725-81-5
• Molecular Formula: C56H60 N6 O4
• Molecular Weight: 881.11
• European Community (EC) Number: 604-699-9
• DSSTox Substance ID: DTXSID80437870
• Nikkaji Number: J2.191.214J
• Mol file: 149725-81-5.mol

Synonyms:(DHQD)2Pyr;149725-81-5;(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;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;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;(DHQD)2Pyr, 97%;DTXSID80437870;SWKRDCRSJPRVNF-DOGDSVMGSA-N;ZFA72581;MFCD00198108;AKOS025394384;CS-W011380;AC-30193;Cinchonan, 9,9''-[(2,5-diphenyl-4,6-pyrimidinediyl)bis(oxy)]bis[10,11-dihydro-6'-methoxy-, (9S,9''S)-;D83249;J-008615;Hydroquinidine 2,5-diphenyl-4,6-pyrimidinediyl diether;(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);7,7'-[2,5-Diphenylpyrimidine-4,6-diylbis[oxy[(S)-(6-methoxy-4-quinolyl)methylene]]]bis[(3R,4S,7R)-3-ethyl-1-azabicyclo[2.2.2]octane]

Chemical Property of (DHQD)2Pyr

Chemical Property:

• Melting Point: 247-250 °C(lit.)
• PKA: 9.50±0.70(Predicted)
• PSA: 94.96000
• Density: 1.29±0.1 g/cm3(Predicted)
• LogP: 11.28100
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 11.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 14
• Exact Mass: 880.46760442
• Heavy Atom Count: 66
• Complexity: 1440

Purity/Quality:

98%,99%, ^*data from raw suppliers

(DHQD)2Pyr 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: 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
• Isomeric SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=C(C(=NC(=N5)C6=CC=CC=C6)O[C@H]([C@H]7C[C@@H]8CCN7C[C@@H]8CC)C9=C1C=C(C=CC1=NC=C9)OC)C1=CC=CC=C1
• Uses: (DHQD)2Pyr may be used:To catalyze the enantioselective allylic amination of alkylidene cyanoacetates with dialkyl azodicarboxylates.To prepare 10(R),11-Dihydroxydihydroquinine and 10(S),11-dihydroxydihydroquinine via the Sharpless catalytic asymmetric dihydroxylation.In the total synthesis of okadaic acid, a protein phosphatase inhibitor.