(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine | CAS No. 61869-08-7

(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine

Basic Information

CAS Number

61869-08-7

Molecular Formula

C19H20FNO3

Molecular Weight

329.37 g/mol

AD

Basic Physical Properties

Melting Point

114-116°C

Boiling Point

451.674 °C at 760 mmHg

Density

1.1844 (estimate)

Flash Point

226.964 °C

Refractive Index

1.561

C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1

InChIKey

AHOUBRCZNHFOSL-YOEHRIQHSA-N

LogP

3.326500000000002

Topological Polar Surface Area

39.72 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

402

Synonyms & References

English

  • NS00000037
  • 41VRH5220H
  • Paxetil
  • (3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
  • PAROXETINE (MART.)
  • (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
  • (-)-(3S,4R)-4-(p-Fluorophenyl)-3-((3,4-(methylenedioxy)phenoxy)methyl)piperidine
  • Paroxetina (INN-Spanish)
  • DTXSID3023425
  • Paroxetina
  • Daparox
  • (-)-Paroxetine
  • paroxetine hydrochloride (anhydrous or hemihydrate)
  • Arotin
  • N06AB05
  • KBio2_002232
  • GTPL4790
  • BPBio1_000949
  • (3s,4r)-3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine
  • Oxetine
  • Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S-trans)-
  • Prestwick3_000851
  • Besitram
  • BRL-29060
  • Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, trans-(+/-)-
  • BRD-K37991163-003-02-7
  • NCGC00025355-06
  • PAROXETINE HCL HEMIHYDRATE
  • BIDD:GT0673
  • Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-,(3S,4R)-
  • UNII-41VRH5220H

MDL Number

MFCD00869588

FAQ

What are the physical and chemical properties of (3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine (CAS: 61869-08-7)?

(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine is a white crystalline solid with a molecular weight of approximately 338.33 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and ethanol. The compound exhibits moderate reactivity with nucleophiles and electrophiles. It is stable under normal conditions but should be stored in a cool, dry place to avoid degradation.

How is (3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine (CAS: 61869-08-7) typically synthesized?

(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine is synthesized through the reaction of 4-fluorophenylpiperidine with 1,3-benzodioxol-5-yloxy methyl bromide in the presence of a base like triethylamine. The reaction is carried out under anhydrous conditions to ensure high yield and selectivity. The product is purified by recrystallization from ethanol to obtain the crystalline form.

What industries use (3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine (CAS: 61869-08-7)?

(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine is primarily used in the pharmaceutical industry for the development of novel drugs. It is also of interest in polymer research for its potential use in the synthesis of advanced materials. Additionally, it can be used in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling (3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine (CAS: 61869-08-7)?

When handling (3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine, it is crucial to work in a well-ventilated area and use a fume hood. Wear appropriate personal protective equipment (PPE) such as safety goggles, gloves, and a lab coat. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions to ensure safe laboratory practices.

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