2-(Cyclohex-1-enyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine

Base Information

• Chemical Name: 2-(Cyclohex-1-enyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine
• CAS No.: 93413-57-1
• Molecular Formula: C₁₇H₂₅NO
• Molecular Weight: 259.392
• UNII: NX18EMS9OI
• Nikkaji Number: J2.865.291G
• Wikidata: Q27285087
• Mol file: 93413-57-1.mol

Synonyms:Dehydro Venlafaxine;93413-57-1;2-(Cyclohex-1-enyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine;NX18EMS9OI;2-(cyclohexen-1-yl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine;(2RS)-2-(Cyclohex-1-enyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine;(+/-)--1-Cyclohexen-1-yl-4-methoxy-N,N-dimethylbenzeneethanamine;[2-(CYCLOHEX-1-EN-1-YL)-2-(4-METHOXYPHENYL)ETHYL]DIMETHYLAMINE;UNII-NX18EMS9OI;Venlafaxine hydrochloride impurity F [EP];SCHEMBL10616088;Benzeneethanamine, beta-1-cyclohexen-1-yl-4-methoxy-N,N-dimethyl-;AKOS027326325;Benzeneethanamine, beta-1-cyclohexen-1-yl-4-methoxy-N,N-dimethyl-, (+/-)-;Q27285087;VENLAFAXINE HYDROCHLORIDE IMPURITY F [EP IMPURITY];BENZENEETHANAMINE, .BETA.-1-CYCLOHEXEN-1-YL-4-METHOXY-N,N-DIMETHYL-;BENZENEETHANAMINE, .BETA.-1-CYCLOHEXEN-1-YL-4-METHOXY-N,N-DIMETHYL-, (+/-)-

Chemical Property of 2-(Cyclohex-1-enyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine

Chemical Property:

• Vapor Pressure: 1.36E-05mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 367.5°C at 760 mmHg
• Flash Point: 108.4°C
• PSA: 12.47000
• Density: 1.007g/cm³
• LogP: 3.75670
• Storage Temp.: Amber Vial, -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 259.193614421
• Heavy Atom Count: 19
• Complexity: 290

Purity/Quality:

98%Min ^*data from raw suppliers

DehydroVenlafaxine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC(C1=CCCCC1)C2=CC=C(C=C2)OC
• Uses: Dehydrovenlafaxine is a metabolite of Venlafaxine (V120000), a selective serotonin noradrenaline reuptake inhibitor which may be used as an antidepressant (1,2). Degradation product of Venlafaxine. Venlafaxine impurity

Technology Process of 2-(Cyclohex-1-enyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine

There total 2 articles about 2-(Cyclohex-1-enyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine 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%

1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexanol (93413-69-5) → 2-(cyclohex-1-enyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine (93413-57-1)

Guidance literature:

With sulfuric acid; In dichloromethane; at 0 - 5 ℃; for 3h;

DOI:10.1080/00397910903162767

Reference yield:

isopropanolic HCl + 1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexanol (93413-69-5) → 2-(cyclohex-1-enyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine (93413-57-1)

Guidance literature:

In hydrogenchloride; isopropyl alcohol;

upstream raw materials:

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

Refernces

• 1、 -. "2-PHENYL-2-(1-HYDROXYCYCLOALKYL OR 1-HYDROXYCYCLOALK-2-ENYL)ETHYLAMINE DERIVATIVES". . . Retrieved 2008/06/13.