[S-(R*,R*)]-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)phthalide

Base Information

• Chemical Name: [S-(R*,R*)]-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)phthalide
• CAS No.: 521-40-4
• Molecular Formula: C₂₁H₂₁NO₇
• Molecular Weight: 399.4
• European Community (EC) Number: 208-313-6
• Nikkaji Number: J3.292.549I
• Wikidata: Q105153986
• Mol file: 521-40-4.mol

Synonyms:[S-(R*,R*)]-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)phthalide;6-Methyl-4-hydroxy-5,6,7,8-tetrahydro-5-(3-oxo-4,5-dimethoxy-1,3-dihydroisobenzofuran-1-yl)-1,3-dioxolo[4,5-g]isoquinoline

Chemical Property of [S-(R*,R*)]-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)phthalide

Chemical Property:

• Vapor Pressure: 3.46E-12mmHg at 25°C
• Melting Point: 202°
• Boiling Point: 538°Cat760mmHg
• Flash Point: 279.2°C
• PSA: 86.69000
• Density: 1.403g/cm³
• LogP: 2.51670
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 399.13180201
• Heavy Atom Count: 29
• Complexity: 632

Purity/Quality:

98%min ^*data from raw suppliers

Desmethylnarcotine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)O)OCO3
• Description: Wrede has obtained this alkaloid from the seed capsules of Papaver somniferum. It crystallizes from aqueous MeOH in colourless rectangular rods and has [0:]5° - 189° (CHCI3) and + 5.8° (c 0.1 NiHCI). One phenolic hydroxyl group is present in the molecule and the base forms the O-acetate, m.p. 208-9°C, giving a hydro_x0002_chloride as the monohydrate, m.p. 230-3°C (dry); [0:]5° + 94.8° (H 20). The acid tartrate forms colourless needles which, decompose at 190-205°C and the picrolonate has m.p. 202-3°C. On treatment with CH2N2, the alkaloid gives Narcotine (q.v.).
• Uses: Desmethylnarcotine is an impurity of Narcotoline an opiate alkaloid and a structure analogue of Nascapine (N882000), an antitussive agent. Noscapine (N882000) metabolite.