(5alpha,6alpha)-4,5-Epoxy-6-hydroxy-17-methylmorphinan-3-yl acetate

Base Information

Chemical Name:(5alpha,6alpha)-4,5-Epoxy-6-hydroxy-17-methylmorphinan-3-yl acetate
CAS No.:58752-60-6
Molecular Formula:C19H23 N O4
Molecular Weight:329.396
Hs Code.:
European Community (EC) Number:261-421-5
DSSTox Substance ID:DTXSID50207486
Nikkaji Number:J297.015E
Wikidata:Q83081403
Mol file:58752-60-6.mol

Synonyms:EINECS 261-421-5;58752-60-6;(5alpha,6alpha)-4,5-Epoxy-6-hydroxy-17-methylmorphinan-3-yl acetate;SCHEMBL7666834;DTXSID50207486;NS00034012;4,5-epoxy-17-methyl-(5alpha,6alpha)-morphinan-3,6-diol 3-acetate

Suppliers and Price of (5alpha,6alpha)-4,5-Epoxy-6-hydroxy-17-methylmorphinan-3-yl acetate

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 (5alpha,6alpha)-4,5-Epoxy-6-hydroxy-17-methylmorphinan-3-yl acetate

Chemical Property:

Boiling Point:494.8°Cat760mmHg
Flash Point:253°C
PSA：59.00000
Density:1.35g/cm³
LogP:1.57970
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:329.16270821
Heavy Atom Count:24
Complexity:554

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(CC5)O)C=C1
Isomeric SMILES:CC(=O)OC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](CC5)O)C=C1

Technology Process of (5alpha,6alpha)-4,5-Epoxy-6-hydroxy-17-methylmorphinan-3-yl acetate

There total 11 articles about (5alpha,6alpha)-4,5-Epoxy-6-hydroxy-17-methylmorphinan-3-yl acetate 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: 7.0%

: 507-09-5
tiolacetic acid

: 509-60-4,13004-73-4,26626-12-0
dihydromorphine

: 22222-98-6
3-acetoxy-6-β-acetylthiodihydromorphine

: 58752-60-6
3-O-acetyldihydromorphine

Guidance literature:: With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 ℃;
DOI:10.1248/cpb.36.2282

Reference yield:

: 1421-28-9
Dihydromorphine hydrochloride

: 108-24-7
acetic anhydride

: 58752-60-6
3-O-acetyldihydromorphine

Guidance literature:: Dihydromorphine hydrochloride; With sodium hydrogencarbonate; In water; at 20 ℃;

acetic anhydride; In water; at 20 ℃; for 1h;
DOI:10.1016/j.ejps.2010.10.007

Reference yield:

: 33049-61-5
(-)-tetrahydrothebaine

: 58752-60-6
3-O-acetyldihydromorphine

Guidance literature:: Multi-step reaction with 5 steps

1: hydrogen bromide

2: sodium hydroxide

3: benzophenone; potassium tert-butylate / toluene / 85 °C

4: ammonium hydroxide

5: 80 °C

With ammonium hydroxide; benzophenone; potassium tert-butylate; hydrogen bromide; sodium hydroxide; In toluene;
DOI:10.3390/molecules25112640