Dextromethadone

Base Information

• Chemical Name: Dextromethadone
• CAS No.: 5653-80-5
• Molecular Formula: C21H27 N O
• Molecular Weight: 309.451
• European Community (EC) Number: 637-187-9
• UNII: S95RZH8AMH
• DSSTox Substance ID: DTXSID501045751
• Nikkaji Number: J56.318H
• Wikipedia: Dextromethadone
• Wikidata: Q15634047
• NCI Thesaurus Code: C186411
• Metabolomics Workbench ID: 155336
• ChEMBL ID: CHEMBL350719
• Mol file: 5653-80-5.mol

Synonyms:(6S)-6-(dimethylamino)-4,4-diphenyl-3-heptanone;(6S)-methadone;D-methadone

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Chemical Property of Dextromethadone

Chemical Property:

• Vapor Pressure: 2.2E-07mmHg at 25°C
• Melting Point: 100.5°C
• Refractive Index: 1.5614 (estimate)
• Boiling Point: 423.7°C at 760 mmHg
• PKA: 9.05±0.50(Predicted)
• Flash Point: 126.5°C
• PSA: 20.31000
• Density: 1.009g/cm³
• LogP: 4.29200
• Solubility.: H2O: soluble
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 309.209264485
• Heavy Atom Count: 23
• Complexity: 346

Purity/Quality:

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38-42/43
• Safety Statements: 22-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
• Isomeric SMILES: CCC(=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
• Recent ClinicalTrials: A Study to Assess the Efficacy and Safety of REL-1017 as Adjunctive Treatment for Major Depressive Disorder (MDD)

Technology Process of Dextromethadone

There total 6 articles about Dextromethadone 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:

d-methadone N-(4-nitro-benzoyl)-L-glutamate salt → (S)-methadone (5653-80-5,297-88-1)

Guidance literature:

With sodium hydroxide; In water; ethyl acetate; at 15 - 40 ℃;

Reference yield:

Methadone (76-99-3,297-88-1) → (S)-methadone (5653-80-5,297-88-1)

Guidance literature:

With L-Tartaric acid;

DOI:10.1021/jo01160a004 DOI:10.1021/ja01192a065

Reference yield:

Methadone (76-99-3,297-88-1) → (S)-methadone (5653-80-5,297-88-1) + levomethadone (125-58-6,297-88-1)

Guidance literature:

With maltodextrin; In aq. phosphate buffer; at 25 ℃; pH=8; pH-value; Temperature; Reagent/catalyst; Solvent; Resolution of racemate;

DOI:10.1002/chir.23008

upstream raw materials:

(S)-(+)-2,2-diphenyl-4-dimethylaminopentanenitrile

ethylmagnesium bromide

Methadone

(R,S)-2,2-diphenyl-4-dimethylaminopentanenitrile

Downstream raw materials:

(+)-Methadone hydrochloride

Refernces

• 1、 -. "Non-Racemic Mixtures of Various Ratios of D- and L-methadone and Methods of Treating Pain Using the Same". . . Retrieved 2016/09/12.