(R-(R*,R*))-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-1(3H)-isobenzofuranone

Base Information

• Chemical Name: (R-(R*,R*))-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-1(3H)-isobenzofuranone
• CAS No.: 4370-85-8
• Molecular Formula: C₂₁H₂₁NO₆
• Molecular Weight: 383.401
• Mol file: 4370-85-8.mol

Synonyms:(R-(R*,R*))-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-1(3H)-isobenzofuranone;1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,R*))-

Chemical Property of (R-(R*,R*))-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-1(3H)-isobenzofuranone

Chemical Property:

• Vapor Pressure: 1.4E-12mmHg at 25°C
• Boiling Point: 560.2°C at 760 mmHg
• Flash Point: 292.6°C
• PSA: 0.00000
• Density: 1.329g/cm³
• LogP: 0.00000
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 383.13688739
• Heavy Atom Count: 28
• Complexity: 616

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12C(CC3=C(C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)C=CN=C3)OCO2

Technology Process of (R-(R*,R*))-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-1(3H)-isobenzofuranone

There total 16 articles about (R-(R*,R*))-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-1(3H)-isobenzofuranone 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: 80.0%

5-((R)-4,5-Dimethoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium (78179-06-3) → meconin (569-31-3) + (-)-β-hydrastine (118-08-1,4370-85-8,29617-43-4,53950-51-9,60594-55-0,60827-73-8,73554-66-2,85280-16-6,85280-18-8)

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol;

Reference yield: 80.0%

5-((R)-4,5-Dimethoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium (78179-06-3) → (-)-β-hydrastine (118-08-1,4370-85-8,29617-43-4,53950-51-9,60594-55-0,60827-73-8,73554-66-2,85280-16-6,85280-18-8)

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol;

Reference yield: 35.0%

6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide (35287-11-7) + 3-bromo-6,7-dimethoxyphthalide (73563-23-2) → β-Hydrastine (85280-18-8) + α-Hydrastine (118-08-1,4370-85-8,29617-43-4,53950-51-9,60594-55-0,60827-73-8,73554-66-2,85280-16-6,85280-18-8)

Guidance literature:

With zinc; In acetonitrile;

DOI:10.1021/jo00158a010

upstream raw materials:

hydrastine

(+)-β-hydrastine hydrochloride

5-((R)-4,5-Dimethoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

tert-butyl (2-(6-iodobenzo[d][1,3]dioxol-5-yl)ethyl)carbamate

Downstream raw materials:

(-)-Ophiocarpin

(+/-)-Adlumidine

hydrastine

(+)-Hydrastine

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