O6-Acetylmorphine hydrochloride

Base Information

• Chemical Name: O6-Acetylmorphine hydrochloride
• CAS No.: 36418-22-1
• Molecular Formula: C₁₉H₂₁NO₄*ClH
• Molecular Weight: 363.841
• European Community (EC) Number: 621-729-6,690-798-2
• DSSTox Substance ID: DTXSID00189945
• Mol file: 36418-22-1.mol

Synonyms:O6-Acetylmorphine hydrochloride;36418-22-1;Morphine 6-acetate hydrochloride;6-Monoacetylmorphine hydrochloride;alpha-Monoacetylmorphine hydrochloride;Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, acetate, hydrochloride;[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate;hydrochloride;63690-08-4;DTXSID00189945;hydrochloride o6-monoacetylmorphine;LS-91758;Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5.alpha.,6.alpha.)-, monoacetate (ester), hydrochloride;Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)-, 6-acetate, hydrochloride (1:1);Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)-, 6-acetate, hydrochloride (9CI);morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, 6-acetate, (5alpha,6alpha)-, hydrochloride

Chemical Property of O6-Acetylmorphine hydrochloride

Chemical Property:

• Vapor Pressure: 1.83E-09mmHg at 25°C
• Boiling Point: 470.2°Cat760mmHg
• Flash Point: 238.2°C
• PSA: 59.00000
• Density: g/cm³
• LogP: 2.50880
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 363.1237359
• Heavy Atom Count: 25
• Complexity: 592

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C.Cl
• Isomeric SMILES: CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C.Cl

Technology Process of O6-Acetylmorphine hydrochloride

There total 2 articles about O6-Acetylmorphine hydrochloride 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: 90.0%

morphine diacetate (561-27-3,13396-04-8,65166-00-9,98673-60-0) + N-butylamine (109-73-9,85404-21-3) → 4,5-epoxy-3-hydroxy-17-methyl-7,8-didehydro-5α,6α-morphinanyl 6-acetate hydrochloride (36418-22-1) + C20H23NO4 (6703-27-1,16206-69-2,28379-39-7,63783-54-0)

Guidance literature:

In benzene; for 4h; Ambient temperature;

Reference yield:

morphine (57-27-2,143-70-4,6912-73-8,16206-77-2,27067-73-8,65165-99-3,70982-47-7) → 4,5-epoxy-3-hydroxy-17-methyl-7,8-didehydro-5α,6α-morphinanyl 6-acetate hydrochloride (36418-22-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: 90 percent / benzene / 4 h / Ambient temperature

With pyridine; In benzene;

upstream raw materials:

morphine diacetate

N-butylamine

morphine

Refernces