110429-36-2

Basic information

• Product Name: N-Methylparoxetine
• Synonyms: N-METHYLPAROXETINE;(3S,4R)-3-(3,4-Methylene-dioxyphenoxy-methyl)-4-(4'-fluorophenyl)-N-methylpiperidine;3-S TRANS (-3-[1,3 BENZODIOXOL-5-YLOXY) METHYL-]4'(4-FLUORO PHENYL)N-METHYL PIPERIDINE;METHYL PAROXETINE;(3s,4r)-1-Methyl-3-[(3,4-(Methylenedioxy)Phenoxy)Methyl]-4-(4-Fluoropheny)-Piperidine;Trans-(-)-4-(4'-Fluoro Phenyl)-3-[[3,4-(Methylenedioxy)-Phenoxy]-Methyl]-N-Methylpiperidine;Methylparodextine;(-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)-1-methylpiperidine
• CAS NO: 110429-36-2
• Molecular Formula: C₂₀H₂₂FNO₃
• Molecular Weight: 343.39
• EINECS: 1312995-182-4
• Product Categories: Active Pharmaceutical Ingredients;API intermediates;(intermediate of paroxetine);Metabolites & Impurities;Other APIs
• Mol File: 110429-36-2.mol
• Article Data: 10

Chemical Properties

• Melting Point: 109.0 to 113.0 °C
• Boiling Point: 443.709 °C at 760 mmHg
• Flash Point: 222.147 °C
• Appearance: /
• Density: 1.198 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.562
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 8.48±0.20(Predicted)
• BRN: 7468178
• CAS DataBase Reference: N-Methylparoxetine(CAS DataBase Reference)
• NIST Chemistry Reference: N-Methylparoxetine(110429-36-2)
• EPA Substance Registry System: N-Methylparoxetine(110429-36-2)

Safety Data

• Hazard Codes: T,N
• Statements: 25-50/53
• Safety Statements: 45-60-61
• RIDADR: UN 2811 6.1 / PGIII
• Hazardous Substances Data: 110429-36-2(Hazardous Substances Data)

Usage

Chemical Properties

Off-White Solid

Uses

Different sources of media describe the Uses of 110429-36-2 differently. You can refer to the following data:
1. A drug impurity of Paroxetin, a selective serotonin reuptake inhibitor. Paroxetine USP Related Compound F.
2. A drug impurity of Paroxetin, a selective serotonin reuptake inhibitor.

InChI:InChI=1/C20H22FNO3/c1-22-9-8-18(14-2-4-16(21)5-3-14)15(11-22)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18H,8-9,11-13H2,1H3

Upstream product

• 124-38-9 carbon dioxide 
• 61869-08-7 paroxetine 
• 50-00-0 formaldehyd 
• 533-31-3 Sesamol 
• 1258537-32-4 trans 4-(p-fluorophenyl)-3-(p-toluenesulfonyloxymethyl)-N-methylpiperidine 
• 105812-81-5 (3S,4R)-trans-4-(4-fluorophenyl)-3-hydroxymethyl-N-methylpiperidine 
• 110429-35-1 (-)-paroxetine hydrochloride 
• 74-88-4 methyl iodide 
• 317323-77-6 ((3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methyl 4-methylbenzenesulfonate 
• 459-57-4 4-fluorobenzaldehyde 
• 109887-52-7 C₁₅H₁₆FNO₄ 

Downstream Products

• 61869-08-7 paroxetine 
• 72471-80-8 [(-)-(3S,4R)-4-(4-fluorophenyl)-3-(3,4-methylenedioxy)phenoxymethyl]piperidine acetate 
• 317323-78-7 paroxetinemethylchloride carbamate 
• 246850-71-5 (3S,4R)-trans-1-benzyloxycarbonyl-4-(4-fluorophenyl)-3-[(3,4-methylenedioxyphenyl)oxymethyl]piperidine 
• 110429-35-1 (-)-paroxetine hydrochloride 
• 533935-67-0 N-formyl paroxetine ((3S,4R)-3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine-1-carbaldehyde) 
• 253768-88-6 (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine-1-carboxylic acid phenyl ester 
• 600135-90-8 (3S,4R)-4-(4-fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)-1-vinyloxycarbonylpiperidine 

Related news

Stereoselectiveseparation of racemic trans-paroxol, N-Methylparoxetine (cas 110429-36-2) and paroxetine containing two chiral carbon centres by countercurrent chromatography08/11/2019

Racemic trans-paroxol, trans-N-methylparoxetine and trans-paroxetine containing two chiral centres were stereoselectively separated using countercurrent chromatography with hydroxypropyl-β-cyclodextrin as the chiral selector. A two-phase solvent system composed of n-butyl acetate and 0.1 mol L−...detailed

Relevant articles and documents

Structural differences between paroxetine and femoxetine responsible for differential inhibition of Staphylococcus aureus efflux pumps

In this study the chemical modification of paroxetine was employed to determine which structural differences between the paroxetine-like and femoxetine-like selective serotonin reuptake inhibitors is responsible for the differential potency of these agent

Iron-Catalyzed Selective N-Methylation and N-Formylation of Amines with CO2

We herein describe an efficient iron-catalyzed selective N-methylation and N-formylation of amines with CO2 and silane using mono-phosphine as ligand. With commercially available [CpFe(CO)2]2 as catalyst, Fe-catalyzed methylation of amines was achieved with triphenylphosphine as a ligand. Using tributylphosphine as a ligand, Fe-catalyzed formylation of amines was realized at a lower temperature. The method was successfully applied in the late-stage methylation and formylation of drug molecules containing amine moiety. (Figure presented.).

Improved process for paroxetine hydrochloride substantially free from potential impurities

An efficient process for production of paroxetine hydrochloride hemihydrate 1, a selective 5-hydroxytryptamine (serotonin) reuptake inhibitor, is described. Identification and control of potential impurities and establishment of efficient downstream workup procedures enabled us to produce paroxetine hydrochloride hemihydrate 1 efficiently.