Tetrahydro-gamma-isomorphine

Base Information

• Chemical Name: Tetrahydro-gamma-isomorphine
• CAS No.: 63868-43-9
• Molecular Formula: C₁₇H₂₃NO₃
• Molecular Weight: 289.375
• DSSTox Substance ID: DTXSID10980581
• Wikidata: Q76311146
• Mol file: 63868-43-9.mol

Synonyms:Tetrahydro-gamma-isomorphine;gamma-Isomorphine, tetrahydro-;Morphinan-3,4,8-alpha-triol, 17-methyl-;63868-43-9;Morphinan-3,4,8-triol, 17-methyl-, (8.alpha.)-;DTXSID10980581;17-Methylmorphinan-3,4,8-triol;LS-92183

Chemical Property of Tetrahydro-gamma-isomorphine

Chemical Property:

• Vapor Pressure: 7.65E-11mmHg at 25°C
• Boiling Point: 500.6°Cat760mmHg
• Flash Point: 282.2°C
• PSA: 63.93000
• Density: 1.35g/cm³
• LogP: 1.69470
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 289.16779360
• Heavy Atom Count: 21
• Complexity: 417

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23CCCC(C2C1CC4=C3C(=C(C=C4)O)O)O
• Isomeric SMILES: CN1CC[C@]23CCC[C@H]([C@H]2[C@H]1CC4=C3C(=C(C=C4)O)O)O

Technology Process of Tetrahydro-gamma-isomorphine

There total 3 articles about Tetrahydro-gamma-isomorphine 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:

ethanol (64-17-5) + β-Isomorphin (466-94-4) → 17-methyl-morphinane-3,4-diol (63690-32-4) + 17-methyl-morphinane-3,4,8α-triol (63868-43-9)

Guidance literature:

Hydrogenation;

DOI:10.1021/ja01305a042

Reference yield:

β-Isomorphin (466-94-4) → 17-methyl-morphinane-3,4,8α-triol (63868-43-9)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1021/ja01305a042

Reference yield:

6β-chloro-4,5α-epoxy-17-methyl-morphin-7-en-3-ol (60048-94-4) → 17-methyl-morphinane-3,4,8α-triol (63868-43-9)

Guidance literature:

Multi-step reaction with 2 steps

1: diluted acetic acid

2: platinum; ethanol / Hydrogenation

With ethanol; acetic acid; platinum;

DOI:10.1021/ja01305a042

upstream raw materials:

ethanol

β-Isomorphin

6β-chloro-4,5α-epoxy-17-methyl-morphin-7-en-3-ol

Downstream raw materials:

3-methoxy-17-methyl-morphinane-4,8α-diol