Structure of DHQD2PHAL CAS 140853 10 7 - (DHQD)2PHAL CAS 140853-10-7

Iden­ti­fi­ca­tion

CAS Number

140853-10-7

Name

(DHQD)2PHAL

Syn­onyms

(DHQD)2PHAL
(9S,9”’S)-9,9′-[1,4-Phtalazinediylbis(oxy)]bis(6′-méthoxy-10,11-dihydrocinchonan) [French] [ACD/IUPAC Name]
(9S,9”’S)-9,9′-[1,4-Phthalazindiylbis(oxy)]bis(6′-methoxy-10,11-dihydrocinchonan) [Ger­man] [ACD/IUPAC Name]
(9S,9”’S)-9,9′-[1,4-Phthalazinediylbis(oxy)]bis(6′-methoxy-10,11-dihydrocinchonan) [ACD/IUPAC Name]
(9S,9”’S)-9,9′-[Phthalazine-1,4-diylbis(oxy)]bis(6′-methoxy-10,11-dihydrocinchonan)
(DHQD)2PHAL
(DHQD)PHAL
1,4-Bis(dihydroquinidine)phthalazine
140853-10-7 [RN]
5475678
AD-mix-β
1,4-bis[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]phthalazine
63076-51-7 [RN]
AD-mix-ß
Cin­cho­nan, 9,9”-[1,4-phthalazinediylbis(oxy)]bis[10,11-dihydro-6′-methoxy-, (9S)-(9”S)-
GS-3098
Hydro­quini­dine 1,4-phthalazinediyl ether
hydroquinidine1,4-phthalazinediyldiether

SMILES

O(c%10cc1c(nccc1[C@H](Oc7nnc(O[C@@H](c2c3cc(OC)ccc3ncc2)[C@@H]4N5CC[C@@H](C4)[C@@H](CC)C5)c6ccccc67)[C@@H]8N9CC[C@@H](C8)[C@@H](CC)C9)cc%10)C

Std­InChI

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

Std­InChIKey

YUCBLVFHJ­­WOYDN-HVLQGHBF­SA-N

Mol­e­c­u­lar Formula

C48H54N6O4

Mol­e­c­u­lar Weight

778.98

MDL Number

MFCD00198107

Prop­er­ties

Appear­ance

White to light yel­low crys­talline pow­der or powder

Safe­ty Data

Sig­nal Word

Warn­ing

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our (DHQD)2PHAL CAS 140853-10-7

Iden­ti­fi­ca­tion Methods

HNMR, HPLC

Puri­ty

98% min

Shelf Life

2 years

Stor­age

Store long-term in a cool, dry place.

Known Appli­ca­tion

(DHQD)2PHAL is a mod­i­fied cin­chona alka­loid deriv­a­tive main­ly used as a lig­and for enan­tios­e­lec­tive catalysis.

This prod­uct is devel­oped by our R&D com­pa­ny Warshel Chem­i­cal Ltd (https://​www​.warshel​.com/).

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