Berberine deriv jci 2222

Base Information

• Chemical Name: Berberine deriv jci 2222
• CAS No.: 70866-50-1
• Molecular Formula: C₂₇H₂₅NO₁₀
• Molecular Weight: 523.496
• NSC Number: 326128
• DSSTox Substance ID: DTXSID20419519

Synonyms:NSC326128;70866-50-1;DTXSID20419519;BERBERINE DERIV JCI 2222;NSC-326128

Chemical Property of Berberine deriv jci 2222

Chemical Property:

• Vapor Pressure: 2.35E-23mmHg at 25°C
• Boiling Point: 765.7°C at 760 mmHg
• Flash Point: 416.9°C
• Density: 1.45g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 523.14784599
• Heavy Atom Count: 38
• Complexity: 1040

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1)C(=O)N3CCC4=CC5=C(C=C4C3=C(C(=C2OC)C(=O)OC)C(=O)OC)OCO5)OC
• Isomeric SMILES: COC1=C(C/2=C(C=C1)C(=O)N\3CCC4=CC5=C(C=C4/C3=C(/C(=C2/OC)/C(=O)OC)\C(=O)OC)OCO5)OC

Technology Process of Berberine deriv jci 2222

There total 2 articles about Berberine deriv jci 2222 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:

8,9,10-trimethoxy-13-oxo-5,6,8,13-tetrahydro-8,13a-etheno-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-15,16-dicarboxylic acid dimethyl ester (70866-40-9) → 1,2,16-trimethoxy-5-oxo-7,8-dihydro-5H-benzo[6,7]azocino[2,1-a][1,3]dioxolo[4,5-g]isoquinoline-14,15-dicarboxylic acid dimethyl ester (70866-50-1)

Guidance literature:

In ethanol;

Reference yield:

C21H17NO6 → 1,2,16-trimethoxy-5-oxo-7,8-dihydro-5H-benzo[6,7]azocino[2,1-a][1,3]dioxolo[4,5-g]isoquinoline-14,15-dicarboxylic acid dimethyl ester (70866-50-1)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / Heating

2: ethanol

In tetrahydrofuran; ethanol;

Reference yield: 87.0%

1,2,16-trimethoxy-5-oxo-7,8-dihydro-5H-benzo[6,7]azocino[2,1-a][1,3]dioxolo[4,5-g]isoquinoline-14,15-dicarboxylic acid dimethyl ester (70866-50-1) + ethanol (64-17-5) → 3-(2-Ethoxycarbonyl-3,4-dimethoxy-phenyl)-4,5-dihydro-7,9-dioxa-3a-aza-dicyclopenta[a,g]naphthalene-1,2-dicarboxylic acid dimethyl ester

Guidance literature:

With hydrogenchloride; for 2h; Heating;

upstream raw materials:

8,9,10-trimethoxy-13-oxo-5,6,8,13-tetrahydro-8,13a-etheno-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-15,16-dicarboxylic acid dimethyl ester

Downstream raw materials:

3-(2,3-Dimethoxy-6-methoxycarbonyl-phenyl)-4,5-dihydro-7,9-dioxa-3a-aza-dicyclopenta[a,g]naphthalene-1,2-dicarboxylic acid dimethyl ester

3-(3,4-Dimethoxy-2-methoxycarbonyl-phenyl)-4,5-dihydro-7,9-dioxa-3a-aza-dicyclopenta[a,g]naphthalene-1,2-dicarboxylic acid dimethyl ester

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