Dihydroisomorphine

Base Information

• Chemical Name: Dihydroisomorphine
• CAS No.: 26626-12-0
• Deprecated CAS: 31420-82-3
• Molecular Formula: C₁₇H₂₁NO₃
• Molecular Weight: 287.359
• UNII: 5U0JDQ5Z5U
• DSSTox Substance ID: DTXSID401018773
• Nikkaji Number: J19.835H
• Wikidata: Q27262868
• Mol file: 26626-12-0.mol

Synonyms:Dihydroisomorphine;26626-12-0;6beta-Hydromorphol;6-beta-Hydromorphol;beta-Hydromorphol;alpha-Isomorphine, dihydro-;Dihydro-alpha-isomorphine;UNII-5U0JDQ5Z5U;5U0JDQ5Z5U;Morphinan-3,6-beta-diol, 4,5-alpha-epoxy-17-methyl-;(4R,4aR,7R,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;Morphinan-3,6-diol 4,5-epoxy-17-methyl-, (5-alpha,6-beta)-;Morphinan-3,6-diol, 4,5-epoxy-17-methyl-, (5.alpha.,6.beta.)-;Hydromorphol, 6beta-;6.BETA.-HYDROMORPHOL;DIHYDROMORPHINE, (6R)-;HYDROMORPHOL, 6.BETA.-;DTXSID401018773;DIHYDRO-.ALPHA.-ISOMORPHINE;LS-91792;PD057880;Q27262868;Morphinan-3,6.beta.-diol, 4,5.alpha.-epoxy-17-methyl-

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Chemical Property of Dihydroisomorphine

Chemical Property:

• Vapor Pressure: 7.65E-10mmHg at 25°C
• Melting Point: 158 - 159 °C (ethanol)
• Boiling Point: 475.4°Cat760mmHg
• PKA: 9.56±0.40(Predicted)
• Flash Point: 241.3°C
• PSA: 52.93000
• Density: 1.4g/cm³
• LogP: 1.36000
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 287.15214353
• Heavy Atom Count: 21
• Complexity: 457

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(CC4)O
• Isomeric SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@@H](CC4)O
• Description: 6β-Hydromorphol (Item No. 21537) is an analytical reference material that is structurally similar to known opioids. It is a metabolite of hydromorphone (Item Nos. 15463 | ISO60146). This product is intended for research and forensic applications.
• Uses: Hydromorphone (H714650) metabolite. 6β-Hydromorphol is a metabolite of Hydromorphone (H714650).

Technology Process of Dihydroisomorphine

There total 28 articles about Dihydroisomorphine 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: 99.0%

MORPHIN (57-27-2) → dihydromorphine (509-60-4,13004-73-4,26626-12-0)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; In isopropyl alcohol; at 60 ℃; for 16h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201603825

Reference yield: 99.0%

Dihydroheroin (509-71-7,142790-69-0) → dihydromorphine (509-60-4,13004-73-4,26626-12-0)

Guidance literature:

With alkaline condition; In ethanol;

DOI:10.1007/s00706-012-0803-8

Reference yield: 98.9%

hydromorphone (466-99-9) → dihydromorphine (509-60-4,13004-73-4,26626-12-0)

Guidance literature:

With acetic acid; tetramethylammonium triacetoxyborohydride; In acetonitrile; at 25 ℃; for 4h; stereoselective reaction;

upstream raw materials:

morphine

hydromorphone hydrochloride

3-O-acetyldihydromorphine

morphine hydrochloride

Downstream raw materials:

hydromorphone

dihydromorphine

3-acetoxy-6-β-acetylthiodihydromorphine

3-O-acetyldihydromorphine