Acetylhydroxycodeinone

Base Information

Chemical Name:Acetylhydroxycodeinone
CAS No.:978-76-7
Molecular Formula:C20H21NO5
Molecular Weight:355.3844
Hs Code.:
DSSTox Substance ID:DTXSID10243249
Nikkaji Number:J48.476H
Wikidata:Q76309529
Mol file:978-76-7.mol

Synonyms:Acetylhydroxycodeinone;Codeinone, acetylhydroxy-;Codeinone, 14-hydroxy-, acetate;978-76-7;Morphinan-6-one, 14-(acetyloxy)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha)-;Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, acetate (ester);SCHEMBL16105156;DTXSID10243249;LS-92098;Morphinan-6-one, 14-(acetyloxy)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.)-

Suppliers and Price of Acetylhydroxycodeinone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Acetylhydroxycodeinone

Chemical Property:

Vapor Pressure:2.58E-10mmHg at 25°C
Boiling Point:504.8°Cat760mmHg
Flash Point:259.1°C
PSA：65.07000
Density:1.38g/cm³
LogP:1.33290
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:355.14197277
Heavy Atom Count:26
Complexity:692

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Acetylhydroxycodeinone

There total 4 articles about Acetylhydroxycodeinone 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: 91.0%

: 108-24-7
acetic anhydride

: 508-54-3
14-hydroxycodeinone

: 978-76-7
14-hydroxycodeinone O-acetyl ester

Guidance literature:: for 0.0333333h; Reflux;
DOI:10.1021/acs.orglett.0c02424

Reference yield:

: 115-37-7
thebaine

: 978-76-7
14-hydroxycodeinone O-acetyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: MCPBA

2: (acetylation)

With 3-chloro-benzenecarboperoxoic acid;
DOI:10.1021/jo00868a019