Acetyldihydrocodeine

Base Information Edit

Chemical Name:Acetyldihydrocodeine
CAS No.:3861-72-1
Molecular Formula:C20H25 N O4
Molecular Weight:343.423
Hs Code.:
European Community (EC) Number:223-377-5
UNII:SGY1T84P34
DSSTox Substance ID:DTXSID30191930
Nikkaji Number:J72.596J
Wikipedia:Acetyldihydrocodeine
Wikidata:Q4673302
Metabolomics Workbench ID:146186
ChEMBL ID:CHEMBL3092041
Mol file:3861-72-1.mol

Synonyms:Acetyldihydrocodeine;Dihydrothebacone;Dihydrocodeine 6-acetate;3861-72-1;Codeine, acetyldihydro-;7,8-Dihydrocodeine acetate;Acetyldihydrokodein;Acetyldihydrokodein [Czech];Acetylcodone;DEA No. 9051;EINECS 223-377-5;Codeine, dihydro-, acetate;UNII-SGY1T84P34;SGY1T84P34;O-Acetyldihydrocodeine;4,5alpha-Epoxy-3-methoxy-17-methylmorphinan-6alpha-yl acetat;(5alpha,6alpha)-4,5-Epoxy-3-methoxy-17-methylmorphinan-6-yl acetate;Morphinan-6-alpha-ol, 4,5-alpha-epoxy-3-methoxy-17-methyl-, acetate;Morphinan-6-alpha-ol, 4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5alpha,6alpha)-;[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate;CHEMBL3092041;DTXSID30191930;CHEBI:135453;IDS-NA-002(SECT.-2);ACETYLDIHYDROCODEINE [WHO-DD];DB01538;Codeine, dihydro-, acetate (6CI,7CI);LS-91971;Q4673302;3-METHOXY-6-ACETOXY-(5.ALPHA.,6.ALPHA.)-7,8-DIDEHYDRO-4,5-EPOXY-17-METHYLMORPHINAN

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

Chemical Property of Acetyldihydrocodeine Edit

Chemical Property:

Melting Point:120 °C
Boiling Point:465.4°Cat760mmHg
PKA:8.21±0.40(Predicted)
Flash Point:235.3°C
PSA：48.00000
Density:1.28g/cm³
LogP:2.23380
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:343.17835828
Heavy Atom Count:25
Complexity:568

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1CCC2C3CC4=C5C2(C1OC5=C(C=C4)OC)CCN3C
Isomeric SMILES:CC(=O)O[C@H]1CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC)CCN3C

Technology Process of Acetyldihydrocodeine

There total 7 articles about Acetyldihydrocodeine 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:

: 108-24-7
acetic anhydride

: 41714-53-8
4,5α-epoxy-3,6β-dimethoxy-17-methyl-morphinane

: 3861-72-1
dihydrocodeine-6-O-acetate

Guidance literature:

Reference yield:

: 125-29-1
Hydrocodone

: 3861-72-1
dihydrocodeine-6-O-acetate

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄; methanol

2: pyridine

With pyridine; methanol; sodium tetrahydroborate;
DOI:10.1021/ja01596a036