(5R)-Isomethadone

Base Information

• Chemical Name: (5R)-Isomethadone
• CAS No.: 26594-41-2
• Molecular Formula: C21H27 N O
• Molecular Weight: 309.4452
• UNII: THB9T1JZ6C
• ChEMBL ID: CHEMBL159145
• Wikidata: Q27289968

Synonyms:(5R)-Isomethadone;Isomethadone d-form;THB9T1JZ6C;26594-41-2;d-Isoamidone;(+)-Isomethadone;UNII-THB9T1JZ6C;(R)-isomethadone;ISOMETHADONE, D-;ISOMETHADONE, (R)-;ISOMETHADONE, (5R)-;CHEMBL159145;d-6-(Dimethylamino)-4,4-diphenyl-5-methyl-3-hexanone;SCHEMBL18546854;ISOMETHADONE D-FORM [MI];Q27289968;3-HEXANONE, 6-(DIMETHYLAMINO)-4,4-DIPHENYL-5-METHYL-, (R)-;3-HEXANONE, 6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-, (R)-

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Chemical Property of (5R)-Isomethadone

Chemical Property:

• Vapor Pressure: 2.2E-07mmHg at 25°C
• Boiling Point: 423.7°Cat760mmHg
• Flash Point: 126.5°C
• Density: 1.009g/cm³
• XLogP3: 4.4
• 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:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C
• Isomeric SMILES: CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)[C@@H](C)CN(C)C

Technology Process of (5R)-Isomethadone

There total 2 articles about (5R)-Isomethadone 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:

isomethadone (466-40-0) → (R)-1-dimethylamino-2-methyl-3.3-diphenyl-hexanone-(4) (26594-41-2)

Guidance literature:

With L-Tartaric acid;

DOI:10.1021/ja01192a065

Reference yield:

2,2-diphenyl-3-methyl-4-(dimethylamino)-butyronitrile (6293-01-2) → (R)-1-dimethylamino-2-methyl-3.3-diphenyl-hexanone-(4) (26594-41-2)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / anschliessendes Erwaermen mit wss. Salzsaeure

2: L_g-tartaric acid

With L-Tartaric acid; toluene;

DOI:10.1021/ja01192a065

upstream raw materials:

isomethadone

2,2-diphenyl-3-methyl-4-(dimethylamino)-butyronitrile