6'-Methoxycinchonan-9-ol--hydrogen chloride (1/1)

Base Information

• Chemical Name: 6'-Methoxycinchonan-9-ol--hydrogen chloride (1/1)
• CAS No.: 1668-99-1
• Molecular Formula: C₂₀H₂₄N₂O₂*ClH
• Molecular Weight: 360.884
• DSSTox Substance ID: DTXSID00937246
• Mol file: 1668-99-1.mol

Synonyms:DTXSID00937246;LS-141247;6'-Methoxycinchonan-9-ol--hydrogen chloride (1/1)

Chemical Property of 6'-Methoxycinchonan-9-ol--hydrogen chloride (1/1)

Chemical Property:

• Boiling Point: 495.9°Cat760mmHg
• Flash Point: 253.7°C
• PSA: 45.59000
• Density: g/cm³
• LogP: 3.91310
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 360.1604557
• Heavy Atom Count: 25
• Complexity: 457

Purity/Quality:

98%min ^*data from raw suppliers

QUINIDINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Cl
• Isomeric SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O.Cl

Technology Process of 6'-Methoxycinchonan-9-ol--hydrogen chloride (1/1)

There total 4 articles about 6'-Methoxycinchonan-9-ol--hydrogen chloride (1/1) 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:

→ quinine hydrochloride (60-93-5,130-89-2,416-37-5,1668-99-1,3750-00-3,3750-01-4,6030-73-5,6030-90-6,7549-43-1,30860-23-2,85135-88-2,11034-23-4,70181-37-2)

Guidance literature:

Reference yield:

Quinine (130-95-0) → quinine dihydrochloride (60-93-5,130-89-2,416-37-5,1668-99-1,3750-00-3,3750-01-4,6030-73-5,6030-90-6,7549-43-1,30860-23-2,85135-88-2,11034-23-4,70181-37-2)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; Inert atmosphere;

DOI:10.1039/c6ra00603e

Reference yield:

bromocresol green (76-60-8) + benzethonium cloride (121-54-0) + quinine (56-54-2,130-95-0,572-59-8,572-60-1,42151-59-7,47342-58-5,72402-50-7,72402-51-8,72402-52-9,72402-53-0,101143-86-6,101143-87-7,101143-88-8,146925-10-2) → C27H42NO2(1+)*C21H12Br4O5S(2-)*C20H24N2O2*H(1+) (135754-90-4) + quinine hydrochloride (60-93-5,130-89-2,416-37-5,1668-99-1,3750-00-3,3750-01-4,6030-73-5,6030-90-6,7549-43-1,30860-23-2,85135-88-2,11034-23-4,70181-37-2)

Guidance literature:

In dichloromethane; Equilibrium constant; Thermodynamic data; ΔH⁰, ΔS⁰, ΔG⁰;

upstream raw materials:

bromocresol green

benzethonium cloride

quinine

bromophenol blue

Downstream raw materials:

dihydroquinine

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