(Dhqd)2aqn

Base Information

• Chemical Name: (Dhqd)2aqn
• CAS No.: 176097-24-8
• Molecular Formula: C₅₄H₅₆N₄O₆
• Molecular Weight: 857.062
• European Community (EC) Number: 621-398-8
• Nikkaji Number: J2.702.163H
• Mol file: 176097-24-8.mol

Synonyms:176097-24-8;(DHQD)2AQN;CID 10985735;BCP31380;MFCD00467216;1,4-bis[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]anthracene-9,10-dione;SY121917;SY276895;FT-0674833;J-011165;(Dhq)2aqn;Hydroquinine anthraquinone-1,4-diyl diether;1,4-Bis[(R)-[(1S,2S,4S,5R)-5-ethyl-2-quinuclidinyl](6-methoxy-4-quinolyl)methoxy]anthracene-9,10-dione;1,4-Bis[(S)-[(1S,2R,4S,5S)-5-ethylquinuclidin-2-yl](6-methoxyquinolin-4-yl)methoxy]anthracene-9,10-dione

Chemical Property of (Dhqd)2aqn

Chemical Property:

• Melting Point: ~160 °C (dec.)
• PKA: 9.81±0.70(Predicted)
• PSA: 103.32000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 9.93240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 856.41998552
• Heavy Atom Count: 64
• Complexity: 1520

Purity/Quality:

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

(DHQ)2AQN 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=C6C(=C(C=C5)OC(C7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC)C(=O)C1=CC=CC=C1C6=O
• Uses: Superior ligand for asymmetric dihydroxylation reactions of most olefins bearing aliphatic substituents or olefins having heteroatoms in the allylic position.

Technology Process of (Dhqd)2aqn

There total 3 articles about (Dhqd)2aqn which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,4-difluoroanthracene-9,10-dione (28736-42-7) + dihydroquinine (522-66-7) → (DHQ)2AQN (176097-24-8)

Guidance literature:

dihydroquinine; With sodium hydride; In N,N-dimethyl-formamide; at 5 ℃; for 1h; Inert atmosphere; Large scale;

1,4-difluoroanthracene-9,10-dione; In N,N-dimethyl-formamide; at 20 ℃; for 16h; Solvent; Reagent/catalyst; Inert atmosphere; Large scale;

Reference yield:

2-(2,5-difluorobenzoyl)benzoic acid → (DHQ)2AQN (176097-24-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sulfuric acid / 3 h / 85 °C / Inert atmosphere; Large scale

2.1: sodium hydride / N,N-dimethyl-formamide / 1 h / 5 °C / Inert atmosphere; Large scale

2.2: 16 h / 20 °C / Inert atmosphere; Large scale

With sulfuric acid; sodium hydride; In N,N-dimethyl-formamide;

Reference yield:

para-difluorobenzene (540-36-3) → (DHQ)2AQN (176097-24-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: aluminum (III) chloride / 12 h / 80 °C / Inert atmosphere; Large scale

2.1: sulfuric acid / 3 h / 85 °C / Inert atmosphere; Large scale

3.1: sodium hydride / N,N-dimethyl-formamide / 1 h / 5 °C / Inert atmosphere; Large scale

3.2: 16 h / 20 °C / Inert atmosphere; Large scale

With aluminum (III) chloride; sulfuric acid; sodium hydride; In N,N-dimethyl-formamide;

upstream raw materials:

1,4-difluoroanthracene-9,10-dione

dihydroquinine

para-difluorobenzene

Refernces