N,O-Didesmethylvenlafaxine

Base Information

• Chemical Name: N,O-Didesmethylvenlafaxine
• CAS No.: 135308-74-6
• Molecular Formula: C15H23NO2
• Molecular Weight: 249.35
• Hs Code.: 2922504500
• UNII: DYW3W9739Y
• DSSTox Substance ID: DTXSID10891441
• Nikkaji Number: J393.602C
• Wikidata: Q27156920
• Metabolomics Workbench ID: 71742
• Mol file: 135308-74-6.mol

Synonyms:N,O-didesmethylvenlafaxine

Chemical Property of N,O-Didesmethylvenlafaxine

Chemical Property:

• Vapor Pressure: 2.91E-07mmHg at 25°C
• Melting Point: 174-175°C
• Refractive Index: 1.574
• Boiling Point: 404.3°C at 760 mmHg
• PKA: 9.83±0.26(Predicted)
• Flash Point: 126.9°C
• PSA: 52.49000
• Density: 1.127g/cm³
• LogP: 2.78130
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 249.172878976
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

racN,O-DidesmethylVenlafaxine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC(C1=CC=C(C=C1)O)C2(CCCCC2)O
• Uses: A metabolite of Venlafaxine, a selective serotonin noradrenaline reuptake inhibitor.

Technology Process of N,O-Didesmethylvenlafaxine

There total 2 articles about N,O-Didesmethylvenlafaxine 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: 68.58%

1-((1-(4-methoxyphenyl)-2-methylamino)ethyl)cyclohexanol hydrochloride → N-Desmethyldesvenlafaxine (135308-74-6)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; sodium dodecanethiolate; at 140 - 160 ℃; Inert atmosphere;

Reference yield:

N-Desmethylvenlafaxine (149289-30-5) → N-Desmethyldesvenlafaxine (135308-74-6)

Guidance literature:

N-Desmethylvenlafaxine; With potassium carbonate; In ISOPROPYLAMIDE; for 0.166667h;

With 2-methyl-5-tert-butylthiophenol; In ISOPROPYLAMIDE; at 100 ℃; Inert atmosphere;

upstream raw materials:

N-Desmethylvenlafaxine

Refernces

• 1、 -. "METHOD OF PRODUCING 4-(2-(SUBSTITUTED)-1-(1-HYDROXYCYCLOHEXYL)ETHYL)PHENOLS BY O- DEMETHYLATION OF THEIR METHYLETHERS BY MEANS OF INODOROUS AROMATIC THIOLS". Page/Page column 26-27. . Retrieved 2011/10/31.