3-Methoxy-4,5-epoxymorphinan-6-ol

Base Information

• Chemical Name: 3-Methoxy-4,5-epoxymorphinan-6-ol
• CAS No.: 845-69-2
• Molecular Formula: C₁₇H₂₁NO₃
• Molecular Weight: 287.359
• DSSTox Substance ID: DTXSID201004774
• Mol file: 845-69-2.mol

Synonyms:845-69-2;DTXSID201004774;3-Methoxy-4,5-epoxymorphinan-6-ol

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of 3-Methoxy-4,5-epoxymorphinan-6-ol

Chemical Property:

• Vapor Pressure: 6.78E-10mmHg at 25°C
• Melting Point: 194 °C
• Boiling Point: 476.7°Cat760mmHg
• PKA: 14.17±0.20(Predicted)
• Flash Point: 242.1°C
• PSA: 50.72000
• Density: 1.34g/cm³
• LogP: 1.71170
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 287.15214353
• Heavy Atom Count: 21
• Complexity: 444

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C3=C(CC4C5C3(CCN4)C(O2)C(CC5)O)C=C1
• Isomeric SMILES: COC1=C2C3=C(C[C@H]4C5[C@]3(CCN4)C(O2)[C@H](CC5)O)C=C1
• Uses: Nor Dihydrocodeine is a metabolite of Dihydrocodeine (D448850). This is a controlled substance.

Technology Process of 3-Methoxy-4,5-epoxymorphinan-6-ol

There total 7 articles about 3-Methoxy-4,5-epoxymorphinan-6-ol 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: 83.0%

C20H24ClNO5 → Nordihydrocodeine (845-69-2)

Guidance literature:

C₂₀H₂₄ClNO₅; In methanol; at 60 ℃; for 6h;

With sodium hydroxide; pH=9;

DOI:10.3390/molecules25174009

Reference yield:

Norhydrocodone (5083-62-5) → Nordihydrocodeine (845-69-2)

Guidance literature:

With phosphoric acid; hydrogen; 10 % platinum on carbon; In water; isopropyl alcohol; at 50 ℃; for 1h; under 2068.65 Torr;

Reference yield:

dihydrocodeine (125-28-0) → Nordihydrocodeine (845-69-2)

Guidance literature:

dihydrocodeine; With 2,2,2-Trichloroethyl chloroformate; In 1,1,2,2-tetrachloroethane; for 2h; Heating;

With sodium dihydrogenphosphate; zinc; In tetrahydrofuran; for 2h; Heating;

DOI:10.3109/00498259409043262

upstream raw materials:

norcodeine

dihydrocodeine-6-O-acetate

dihydrocodeine

Norhydrocodone

Refernces

• 1、 K?teles, István,Mazák, Károly,Tóth, Gerg?,T?z, Boglárka,Hosztafi, Sándor. "Synthesis of Potential Haptens with Morphine Skeleton and Determination of Protonation Constants". . . Retrieved 2020/09/17.
• 2、 Kirkwood,Nation,Reynolds,Somogyi,Sansom. "Oxidative metabolism of dihydrocodeine in Dark-Agouti and Sprague-Dawley rat liver microsomes". . p. 299 - 303. Retrieved 2007/10/03.