14-Hydroxycodeinone valerate

Base Information

• Chemical Name: 14-Hydroxycodeinone valerate
• CAS No.: 1250-84-6
• Molecular Formula: C₂₃H₂₇NO₅
• Molecular Weight: 397.471
• DSSTox Substance ID: DTXSID80924992
• Wikidata: Q76309542
• Mol file: 1250-84-6.mol

Synonyms:14-Hydroxycodeinone valerate;Codeinone, 14-hydroxy-, valerate;BRN 4941891;1250-84-6;Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, valerate (ester);DTXSID80924992;LS-92112;3-Methoxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-14-yl pentanoate

Chemical Property of 14-Hydroxycodeinone valerate

Chemical Property:

• Vapor Pressure: 1.68E-11mmHg at 25°C
• Boiling Point: 534.5°C at 760 mmHg
• Flash Point: 277.1°C
• Density: 1.3g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 397.18892296
• Heavy Atom Count: 29
• Complexity: 737

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OC12C=CC(=O)C3C14CCN(C2CC5=C4C(=C(C=C5)OC)O3)C
• Isomeric SMILES: CCCCC(=O)O[C@@]12C=CC(=O)[C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)OC)O3)C

Technology Process of 14-Hydroxycodeinone valerate

There total 4 articles about 14-Hydroxycodeinone valerate 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:

14-hydroxycodeine (4829-46-3) → 14-Valeryloxy-kodeinon (1250-84-6)

Guidance literature:

Multi-step reaction with 5 steps

2: methanol / Heating

3: KOH / methanol

4: MnO₂ / CHCl₃

With manganese(IV) oxide; potassium hydroxide; In methanol; chloroform;

DOI:10.1039/jr9600000773

Reference yield:

14-hydroxycodeine diacatate (103458-67-9) → 14-Valeryloxy-kodeinon (1250-84-6)

Guidance literature:

Multi-step reaction with 4 steps

1: methanol / Heating

2: KOH / methanol

3: MnO₂ / CHCl₃

With manganese(IV) oxide; potassium hydroxide; In methanol; chloroform;

DOI:10.1039/jr9600000773

Reference yield:

6α-acetoxy-4,5α-epoxy-3-methoxy-17-methyl-morphin-7-en-14-ol (100740-63-4) → 14-Valeryloxy-kodeinon (1250-84-6)

Guidance literature:

Multi-step reaction with 3 steps

1: KOH / methanol

2: MnO₂ / CHCl₃

With manganese(IV) oxide; potassium hydroxide; In methanol; chloroform;

DOI:10.1039/jr9600000773

upstream raw materials:

pentanoic anhydride

14-hydroxycodeinone

14-hydroxycodeine

14-hydroxycodeine diacatate