3-Hydroxyquinine

Base Information

• Chemical Name: 3-Hydroxyquinine
• CAS No.: 78549-61-8
• Molecular Formula: C₂₀H₂₄N₂O₃
• Molecular Weight: 340.422
• UNII: 4D7695509M
• DSSTox Substance ID: DTXSID901316798
• Wikidata: Q27102531
• Mol file: 78549-61-8.mol

Synonyms:3-hydroxyquinidine;3-hydroxyquinidine, (3alpha,9S)-isomer;3-hydroxyquinidine, (8alpha,9R)-isomer;3-hydroxyquinine

Chemical Property of 3-Hydroxyquinine

Chemical Property:

• Melting Point: 153-155°C
• Boiling Point: 534.3oC at 760 mmHg
• Flash Point: 276.9oC
• PSA: 65.82000
• Density: 1.29g/cm3
• LogP: 2.22600
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 340.17869263
• Heavy Atom Count: 25
• Complexity: 501

Purity/Quality:

99%min ^*data from raw suppliers

(-)-(3S)-3-HydroxyQuinine ^*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(C3CC4CCN3CC4(C=C)O)O
• Isomeric SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@]4(C=C)O)O

Technology Process of 3-Hydroxyquinine

There total 1 articles about 3-Hydroxyquinine 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:

→ 6'-methoxy-cinchonane-3,9-diol (53467-23-5,60761-51-5,78549-61-8,128241-59-8)

Guidance literature:

(8R,9S)-6-Methoxy-3-oxo-9-rubanolacetat (6), Vinylmagnesium bromid;

DOI:10.1016/S0040-4039(00)93775-4