Tetrahydrothebaine

Base Information

• Chemical Name: Tetrahydrothebaine
• CAS No.: 41714-53-8
• Molecular Formula: C19H25NO3
• Molecular Weight: 315.412
• European Community (EC) Number: 255-511-3
• DSSTox Substance ID: DTXSID90961919
• Nikkaji Number: J23.899F
• Mol file: 41714-53-8.mol

Synonyms:Tetrahydrothebaine;EINECS 255-511-3;41714-53-8;4,5alpha-Epoxy-3,6-dimethoxy-17-methylmorphinan;(5alpha,6beta)-4,5-Epoxy-3,6-dimethoxy-17-methylmorphinan;Morphinan, 4,5-alpha-epoxy-3,6-dimethoxy-17-methyl-;(5R,6S,9R,13S,14R)-4,5-Epoxy-3,6-dimethoxy-9alpha-methylmorphinan;(4R,4aR,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;Morphinan, 4,5-epoxy-3,6-dimethoxy-17-methyl-, (5.alpha.,6.beta.)-;SCHEMBL16279825;DTXSID90961919;LS-91813;3,6-Dimethoxy-17-methyl-4,5-epoxymorphinan

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Chemical Property of Tetrahydrothebaine

Chemical Property:

• Boiling Point: 438.2oC at 760 mmHg
• Flash Point: 128.6oC
• PSA: 30.93000
• Density: 1.24g/cm3
• LogP: 2.31710
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 315.18344366
• Heavy Atom Count: 23
• Complexity: 485

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)OC
• Isomeric SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(CC4)OC

Technology Process of Tetrahydrothebaine

There total 3 articles about Tetrahydrothebaine 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:

Hydrocodone (125-29-1) → dihydro-isocodeine (795-38-0) + 4,5α-epoxy-3,6β-dimethoxy-17-methyl-morphinane (41714-53-8)

Guidance literature:

With methanol; sodium tetrahydroborate;

DOI:10.1021/ja01596a036

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) → 4,5α-epoxy-3,6β-dimethoxy-17-methyl-morphinane (41714-53-8)

Guidance literature:

DOI:10.1021/jo01125a020

Reference yield:

codeine (76-57-3) → (-)-Dihydrothebainon (847-86-9) + 4,5α-epoxy-3,6β-dimethoxy-17-methyl-morphinane (41714-53-8) + Hydrocodone (125-29-1)

Guidance literature:

Hydrogenation;

upstream raw materials:

Hydrocodone

diazomethane

codeine

Downstream raw materials:

dihydrocodeine-6-O-acetate

4,5α-epoxy-3-methoxy-17-methyl-6α-(toluene-4-sulfonyloxy)-morphinane

Hydrocodone

desocodiene