5-(4-Methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane

Base Information

• Chemical Name: 5-(4-Methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane
• CAS No.: 93413-70-8
• Molecular Formula: C17H25 N O2
• Molecular Weight: 275.391
• Hs Code.: 2934999090
• UNII: W0KZX6545W
• Nikkaji Number: J2.865.292E
• Wikidata: Q27292150
• Mol file: 93413-70-8.mol

Synonyms:93413-70-8;5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane;Venlafaxine Cyclic Impurity;(5RS)-5-(4-Methoxyphenyl)-3-methyl-1-oxa-3-azaspiro(5.5)undecane;UNII-W0KZX6545W;Venlafaxine hydrochloride impurity E [EP];W0KZX6545W;5-(4-Methoxyphenyl)-3-methyl-1-oxa-3-azaspiro(5.5)undecane, (5RS)-;1-Oxa-3-azaspiro(5.5)undecane, 5-(4-methoxyphenyl)-3-methyl-, (+/-)-;Oprea1_631379;SCHEMBL4563962;FT-0675797;Q27292150;VENLAFAXINE HYDROCHLORIDE IMPURITY E [EP IMPURITY];3-Methyl-5-(4-methoxyphenyl)-1-oxa-3-azaspiro[5.5]undecane

Chemical Property of 5-(4-Methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane

Chemical Property:

• Vapor Pressure: 1.34E-06mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 399.8°C at 760 mmHg
• Flash Point: 135.7°C
• PSA: 21.70000
• Density: 1.09g/cm³
• LogP: 3.33910
• Storage Temp.: Refrigerator
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly, Sonicat
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 275.188529040
• Heavy Atom Count: 20
• Complexity: 306

Purity/Quality:

99% ^*data from raw suppliers

VenlafaxineCyclicImpurity ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC(C2(CCCCC2)OC1)C3=CC=C(C=C3)OC
• Uses: Venlafaxine cyclic Impurity H A Venlafaxine impurity A cyclic impurity of Venlafaxine (V120000), a selective serotonin noradrenaline reuptake inhibitor which may be used as an antidepressant (1,2).

Technology Process of 5-(4-Methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane

There total 3 articles about 5-(4-Methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane 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: 88.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-didesmethylvenlafaxine (93413-77-5,272788-06-4,273720-73-3,149289-31-6) → 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane (93413-70-8)

Guidance literature:

With formic acid; In water; at 90 - 95 ℃; for 1h;

DOI:10.1080/00397910903162767

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-didesmethylvenlafaxine (93413-77-5,272788-06-4,273720-73-3,149289-31-6) → 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane (93413-70-8) + 1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexanol (93413-69-5)

Guidance literature:

formaldehyd; N,N-didesmethylvenlafaxine; With formic acid; In water; for 2h; Heating / reflux;

With sodium hydroxide; In water; at 0 ℃; pH=~ 10;

Reference yield:

→ 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane (93413-70-8)

Guidance literature:

upstream raw materials:

formaldehyd

N,N-didesmethylvenlafaxine

Downstream raw materials:

1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexanol