467-98-1

Basic information

• Product Name: THEBAINONE
• Synonyms: THEBAINONE;7,8-Didehydro-4-hydroxy-3-methoxy-17-methylmorphinan-6-one;Thebainone a
• CAS NO: 467-98-1
• Molecular Formula: C₁₈H₂₁NO₃
• Molecular Weight: 299.36
• Product Categories: Restricted Compound;Chiral Reagents;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals
• Mol File: 467-98-1.mol
• Article Data: 5

Chemical Properties

• Melting Point: 142-144°C
• Boiling Point: 440.69°C (rough estimate)
• Flash Point: 241.3°C
• Appearance: /
• Density: 1.1613 (rough estimate)
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.5740 (estimate)
• Storage Temp.: Controlled Substance, -20°C Freezer
• Water Solubility: 4g/L(20 oC)
• CAS DataBase Reference: THEBAINONE(CAS DataBase Reference)
• NIST Chemistry Reference: THEBAINONE(467-98-1)
• EPA Substance Registry System: THEBAINONE(467-98-1)

Safety Data

• Hazardous Substances Data: 467-98-1(Hazardous Substances Data)

Usage

Uses

A new metabolite of Thebaine Controlled substance.

InChI:InChI=1/C18H21NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3-6,13-14,21H,7-10H2,1-2H3/t13-,14+,18-/m0/s1

Upstream product

• 911476-11-4 ent-4-hydroxy-3-methoxy-17-methyl-morphin-7-en-6-one 
• 467-13-0 dihydrocodeinone 
• 141849-31-2 trans-morphinan 
• 916225-97-3 2-iodo-6-methoxy-3-(2,2-dimethoxyethyl)phenol 

Downstream Products

• 467-98-1 (±)-thebainone A 
• 2246-20-0 3-methoxy-17-methylmorphinan-6-one 
• 74924-36-0 dihydrothebainone-4-phenyl ether ethylene glycol ketal 
• 4978-42-1 dihydrothebainone-4-phenyl ether 
• 847-86-9 (-)-Dihydrothebainon 

Relevant articles and documents

Improved synthesis of dihydrothebainone and its 14 β-epimer

An improved synthesis for the preparation of diastereomerically pure dihydrothebainone (1) from thebaine (3) is reported. A 41% overall yield was realized over three steps via direct transformation of dihydrothebaine-Φ (4) to thebainone-A (6) with 6N HCl.

A novel approach to the synthesis of morphine alkaloids: The synthesis of (d,l)-thebainone-A

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Elimination of the 4-hydroxyl group of the alkaloids related to morphine. 8. Synthesis of (-)-3-methoxy-N-methylisomorphinan derivatives.

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