O6-Demethylberbamine

Base Information

• Chemical Name: O6-Demethylberbamine
• CAS No.: 479-37-8
• Molecular Formula: C₃₆H₃₈N₂O₆
• Molecular Weight: 594.708
• NSC Number: 123123
• Nikkaji Number: J2.402.046K
• Wikidata: Q105327539
• Metabolomics Workbench ID: 138984
• ChEMBL ID: CHEMBL492604
• Mol file: 479-37-8.mol

Synonyms:NSC-123123;CHEMBL492604;NSC123123

Chemical Property of O6-Demethylberbamine

Chemical Property:

• Boiling Point: 706.5°Cat760mmHg
• Flash Point: 381.1°C
• PSA: 83.86000
• Density: 1.239g/cm³
• LogP: 6.43220
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 594.27298694
• Heavy Atom Count: 44
• Complexity: 948

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
• Isomeric SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
• Description: A bisbenzylisoquinoline alkaloid present in Berberis tachonoskyana, the base may be recrystallized from C6H6 when it forms colourless needles containing solvent, m.p. 135-6°C (dec.). It is dextrorotatory with [α] 9 D + 98.5° (MeOH). Two methoxyl groups, two phenolic hydroxyl groups and two methylimino groups are present in the molecule. The O,O-dimethyl ether is identical with iso_x0002_tetrandrine and the corresponding diethyl ether crystallizes as small granules with m.p. 196-8°C; [α] 25 D+ 140°. The structure given has been determined primarily from the mass spectrum.

Technology Process of O6-Demethylberbamine

There total 1 articles about O6-Demethylberbamine 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: 6.7%

(+)-isotetrandrine (477-57-6,518-34-3,1263-79-2,23495-89-8,23495-90-1,26137-48-4,26695-12-5,5990-67-0) → (+)-obamegine (479-37-8,21008-67-3,57377-42-1,66254-51-1)

Guidance literature:

With methanesulfonic acid; DL-methionine; for 24h; Ambient temperature;

DOI:10.3987/COM-91-5947

upstream raw materials:

(+)-isotetrandrine

Refernces