Methyldesorphine

Base Information

• Chemical Name: Methyldesorphine
• CAS No.: 16008-36-9
• Molecular Formula: C18H21 N O2
• Molecular Weight: 283.37
• Hs Code.: 2939190022
• European Community (EC) Number: 240-139-6
• UNII: Y460N7W76B
• DSSTox Substance ID: DTXSID60166797
• Nikkaji Number: J9.021B
• Wikipedia: Methyldesorphine
• Wikidata: Q6823966
• NCI Thesaurus Code: C91047
• ChEMBL ID: CHEMBL2104851
• Mol file: 16008-36-9.mol

Synonyms:METHYLDESORPHINE;16008-36-9;MK 57;Metildesorfina;Methyldesorphinum;Methyldesomorphine;DEA No. 9302;Methyldesorphine [INN:BAN:DCF];Metildesorfina [INN-Spanish];UNII-Y460N7W76B;Methyldesorphinum [INN-Latin];IDS-NM-004;.DELTA.6-Deoxy-6-methylmorphine;MK-57;Y460N7W76B;EINECS 240-139-6;3-Hydroxy-6,N-dimethyl-4,5-epoxymorphin-6-en;4,5alpha-Epoxy-6,N-dimethyl-6-morphinen-3-ol;(4R,4aR,7aS,12bS)-3,7-dimethyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol;Morphinan-3-ol, 6,7-didehydro-4,5-epoxy-6,17-dimethyl-, (5.alpha.)-;METHYLDESORPHINE [INN];SCHEMBL908001;Morphinan-3-ol, 6,7-didehydro-4,5.alpha.-epoxy-6,17-dimethyl-;CHEMBL2104851;DTXSID60166797;Methyldesorphine [BAN:DCF:INN];6-Methyl-delta(sup 6)-deoxy-morphine;6-METHYL-.DELTA.(SUP 6)-DEOXY-MORPHINE;Q6823966;(1S,5R,13S,17R)-4,14-dimethyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7,9,11(18),14-tetraen-10-ol

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Chemical Property of Methyldesorphine

Chemical Property:

• Vapor Pressure: 9.21E-08mmHg at 25°C
• Melting Point: 239 °C(Solv: acetone (67-64-1))
• Boiling Point: 423.2°Cat760mmHg
• PKA: 9.58±0.40(Predicted)
• Flash Point: 209.8°C
• PSA: 32.70000
• Density: 1.31g/cm³
• LogP: 2.55530
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 283.157228913
• Heavy Atom Count: 21
• Complexity: 503

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C
• Isomeric SMILES: CC1=CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C

Technology Process of Methyldesorphine

There total 2 articles about Methyldesorphine 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:

→ 4,5α-epoxy-6,17-dimethyl-morphin-6-en-3-ol (16008-36-9)

Guidance literature:

With pyridine; thionyl chloride; Erwaermen des erhaltenen 4,5α-Epoxy-3-methoxycarbonyloxy-6,17-dimethyl-morphin-6-ens mit aethanol. NaOH;

DOI:10.1021/ja01120a039

Reference yield:

→ 4,5α-epoxy-6,17-dimethyl-morphin-6-en-3-ol (16008-36-9)

Guidance literature:

With thionyl chloride; chloroform;