Metopon

Base Information

• Chemical Name: Metopon
• CAS No.: 143-52-2
• Molecular Formula: C18H21NO3
• Molecular Weight: 299.37
• UNII: 94XZ1CC69D
• DSSTox Substance ID: DTXSID20162275
• Nikkaji Number: J5.821A
• Wikipedia: Metopon
• Wikidata: Q2667888
• NCI Thesaurus Code: C83963
• ChEMBL ID: CHEMBL2110992
• Mol file: 143-52-2.mol

Synonyms:metopon;metopon hydrochloride

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Chemical Property of Metopon

Chemical Property:

• Vapor Pressure: 2.09E-09mmHg at 25°C
• Melting Point: 243-245° (evac tube)
• Refractive Index: 1.664
• Boiling Point: 468.7 °C at 760 mmHg
• PKA: pKa 8.08(50% aq EtOH) (Uncertain)
• Flash Point: 237.2 °C
• PSA: 49.77000
• Density: 1.36 g/cm³
• LogP: 1.95830
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 299.15214353
• Heavy Atom Count: 22
• Complexity: 536

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C(=O)CCC3C14CCN(C3CC5=C4C(=C(C=C5)O)O2)C
• Isomeric SMILES: C[C@]12C(=O)CC[C@@H]3[C@]14CCN([C@@H]3CC5=C4C(=C(C=C5)O)O2)C
• Uses: Anti-emetic.

Technology Process of Metopon

There total 7 articles about Metopon 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:

5β-methyl-dihydrocodeinone (63868-37-1) → metopon (143-52-2)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja01299a043

Reference yield:

1-bromo-4,5α-epoxy-3-methoxy-5β,17-dimethyl-morphinan-6-one → metopon (143-52-2)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium; potassium acetate; acetic acid / Hydrogenation

2: aqueous HBr

With hydrogen bromide; potassium acetate; palladium; acetic acid;

DOI:10.1021/ja01299a043

Reference yield:

5-methyldihydrocodeinone (63868-37-1) → metopon (143-52-2)

Guidance literature:

With hydrogen bromide; for 0.5h; Heating;

DOI:10.1021/jo00346a037

upstream raw materials:

5β-methyl-dihydrocodeinone

5-methyldihydrocodeinone

5β-methylthebaine

5-methyldihydrothebaine