ChemicalBook > CAS DataBase List > (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

Product Name
(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CAS No.
105812-81-5
Chemical Name
(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
Synonyms
PAROXOL;(-)-Paroxol;[(3S,4S)-4-(4-fL;Compound Fr13375;Paroxetine Impurity 18;Paroxetine impurities783;(3S,4R)-N-Methyl Paroxol;Paroxol 1.0 mg/ml in Methanol;(3S,4R)-4-(4-Fluorophenyl)-3-h;[(3S,4R)-4-(4-Fluorophenyl)-1-methy
CBNumber
CB5737006
Molecular Formula
C13H18FNO
Formula Weight
223.29
MOL File
105812-81-5.mol
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(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine Property

Melting point:
97-101 °C
alpha 
-38 º (c=1, MeOH)
Boiling point:
300.3±42.0 °C(Predicted)
Density 
1.092±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
solubility 
soluble in Methanol
form 
powder to crystal
pka
14.93±0.10(Predicted)
color 
White to Almost white
optical activity
Consistent with structure
InChI
InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1
InChIKey
CXRHUYYZISIIMT-AAEUAGOBSA-N
SMILES
N1(C)CC[C@@H](C2=CC=C(F)C=C2)[C@H](CO)C1
CAS DataBase Reference
105812-81-5(CAS DataBase Reference)
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Safety

Hazard Codes 
N-Xn,N,Xn
Risk Statements 
51/53-41-22
Safety Statements 
61-39-26-22-37/39-24
RIDADR 
UN3077
HazardClass 
9
PackingGroup 
III
HS Code 
29333999
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H302Harmful if swallowed

H318Causes serious eye damage

H401Toxic to aquatic life

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P262Do not get in eyes, on skin, or on clothing.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P391Collect spillage. Hazardous to the aquatic environment

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TCI Chemical
Product number
F0878
Product name
(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$63
Updated
2025/07/31
TCI Chemical
Product number
F0878
Product name
(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$259
Updated
2024/03/01
TRC
Product number
P205800
Product name
Paroxol
Packaging
5g
Price
$110
Updated
2021/12/16
TRC
Product number
P205800
Product name
Paroxol
Packaging
25g
Price
$215
Updated
2021/12/16
Apolloscientific
Product number
PC300797
Product name
[(3S,4R)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methanol
Packaging
1g
Price
$165
Updated
2021/12/16
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(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine Chemical Properties,Usage,Production

Chemical Properties

white to light yellow crystal powde

Uses

An intermediate in the synthesis of Paroxetine, a selective serotonin reuptake inhibitor.

Uses

An intermediate in the synthesis of Paroxetine (P205750), a selective serotonin reuptake inhibitor.

Synthesis

335158-58-2

105812-81-5

The general procedure for the synthesis of (3S,4R)-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine from the compound (CAS:335158-58-2) is as follows: in a 500 mL round-bottomed flask equipped with a stirrer, a condenser and a thermometer, 31.4 g of trans-N-methyl-4'-fluorophenyl-3-methoxypiperidine and 100 mL of tetrahydrofuran were added . Subsequently, 3.31 g of lithium aluminum hydride was slowly added to the reaction system while the reaction temperature was controlled to be maintained at 10 °C. After the addition was completed, the reaction mixture was continued to be stirred until the reaction was completed. After the reaction was completed, 50 mL of distilled water and 30 mL of 10% aqueous sodium hydroxide solution were slowly added and stirring was continued for 30 minutes. Next, 200 mL of ethyl acetate was added to the reaction mixture and stirred for another 30 minutes. The organic and aqueous phases were separated and the solvent and low-boiling organic material were removed by distillation. The residue was recrystallized by a mixture of toluene and n-heptane to afford the target product trans-N-methyl-4'-fluorophenyl-3-hydroxymethylpiperidine (yield: 78.4%, purity: 99.3%). The Rf value of the product was 0.3 (unfolding agent: dichloromethane/methanol, 4:1).1H NMR (CDCl3, 200 MHz) data were as follows: δ 7.18 (t, 2H, J = 8.7 Hz); 6.98 (t, 2H, J = 8.7 Hz); 3.39 (dd, 1H, J = 10.6 Hz, J = 2.8 Hz); 3.25-3.14 ( m, 2H); 2.93 (d, 1H, J = 10.8 Hz); 2.70 (s, 1H); 2.31 (s, 3H); 2.27-2.21 (m, 1H); 2.09-1.75 (m, 5H).

References

[1] Patent: WO2004/5254, 2004, A1. Location in patent: Page 9
[2] Patent: WO2005/63707, 2005, A1. Location in patent: Page 26
[3] Patent: WO2005/63707, 2005, A1. Location in patent: Page 27

(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine Preparation Products And Raw materials

Raw materials

Preparation Products

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(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine Suppliers

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View Lastest Price from (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine manufacturers

HANGZHOU HAILAN CHEMICAL CO.,LTD.
Product
(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine 105812-81-5
Price
US $0.00/kg
Min. Order
1kg
Purity
99%Min
Supply Ability
20tons
Release date
2025-08-21
Taizhou Creating Bio-pharm co., ltd.
Product
(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine 105812-81-5
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99
Supply Ability
100
Release date
2025-07-07
Hangzhou ICH Biofarm Co., Ltd
Product
(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine 105812-81-5
Price
US $0.00-0.00/kg
Min. Order
0.10000000149011612kg
Purity
99.0%min
Supply Ability
200kg
Release date
2023-06-12

105812-81-5, (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidineRelated Search:

2,2,6,6-Tetramethyl-4-piperidinol DROPERIDOL Haloperidol 1,2,2,6,6-Pentamethyl-4-piperidinol Tris(hydroxymethyl)nitromethane Triacetonediamine 4-(4-Fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine paroxetine Mesylate Paroxetine Impurity 5 Paroxetine Related Impurity 7 3S4R 3S,4R-4-[phenyl-1-methylpiperidinyl] methanol 1,3-Benzodioxol-4-ol Paroxetine Impurity 16 PAROXETINE RELATED COMPOUND C (15 MG) ((+)-TRANS-PAROXETINE HYDROCHLORIDE) Paroxetine Impurity 17 1,3-Benzodioxole Paroxetine EP Impurity I HCl 3S4R Paroxetine

  • (-)-TRANS-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYL-1-METHYLPIPERIDINE
  • (-)-TRANS-4R-(4-FLUOROPHENYL)-3S-HYDROXYMETHYL-1-METHYLPIPERIDINE
  • TRANS-(-)-4-FLUOROPHENYL-1-METHYL-3-PIPERIDINE METHANOL
  • (3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol,98%
  • (3S)-4-(4'-FLUOROPHENYL)-3-HYDROXYMETHYL-1-METHYLPIPERIDINE
  • (3S,4R)-4-(4'-FLUOROPHENYL)-3-HYDROXYMETHYL-1-METHYLPIPERIDINE
  • (3S,4R)-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYL-1-METHYLPIPERIDINE
  • (4R,3S)4-(4-Fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine
  • [(3S,4R)-4-(4-Fluorophenyl)-1- methylpiperidinyl]methanol,99%e.e.
  • Paroxetine Impurity 18
  • (3S,4R)-trans-(-)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
  • (-)Trans-1-N-Methyl-3-Hydroxy Methyl-4-(4-Fluoro Phenyl) Piperidine
  • Paroxetine (3S,4R)-N-Methyl Paroxol Impurity
  • [(3S,4R)-4-(4-fluorophenyl)-1-methyl-3-piperidyl]methanol
  • (4R,3S)-4-(4-FLUOROPHENYL)-3-HYDROXY METHYL-N-METHYL PIPERIDINE
  • (-)-Trans-4R-(4-Fluorophenyl)-3S-hydroxymethyl-N-methylpiperidine
  • (3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol, 98%
  • Trans-(-)-4-(4-Fluorophenyl)-1-Methyl-3-Piperidine Methanol
  • PAROXOL
  • 4, (-)trans-4R-(4-fluorophenyl)-3S-hydroxymethyl-1-methylpiperidine
  • 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-,(3S,4R)- 　
  • (4S,3S)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol
  • (3S,4R)-4-(4-Fluorophenyl)-3-h
  • (2S)-1-(4-FLUOROPHENYL)-4-METHYLPIPERAZIN-2-YL]METHANOL
  • ((3S,4S)-4-(4-fluorophenyl)-1-Methylpiperidin-3-yl)Methanol
  • (3S-trans)-4-(4-Fluorophenyl)-1-Methyl-3-piperidineMethanol
  • (4R,3S)-4-(4-Fluorophenyl)-1-Methyl-3-piperidineMethanol
  • (3S,4R)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine,98%
  • 3S,4R-4-[(4-fluorophenyl)-1-methylpiperi dinyl] methanol
  • (-)-Trans-1-methyl-3-hydroxymethyl-4-(4-fluorophenyl)piperdine
  • Paroxetine IMpurity - (3S,4R)-N-Methyl Paroxol
  • (3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol &gt
  • [(3S,4R)-4-(4-Fluorophenyl)-1-methy
  • [(3S,4S)-4-(4-fL
  • (-)Trans-4'-fluorophenyl-3-hydroxymethyl-l-methylpiperidine
  • (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidin...
  • Paroxetine impurities783
  • (3S,4R)-N-Methyl Paroxol
  • (-)TRANS-4R-(4-FLUOROPHENYL)-3S-HYDROXYMETHYL-1-METHYL PIPERIDINE
  • (3S,4R)-3-hydroxymethyl-4-(4'-fluorophenyl)-N-methylpiperidine
  • (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-met
  • Compound Fr13375
  • (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine OR (-) - Alcohol or (-) Carbinol
  • (-)-Paroxol
  • (-)-trans-4-(4'-fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
  • (-)-trans-1-Methyl-3-(hydroxymethyl)-4-(4-fluorophenyl)piperidine
  • ParoxetineHydrochlorideIntermediate
  • Paroxol 1.0 mg/ml in Methanol
  • (3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol
  • 105812-81-5
  • Aromatics
  • Heterocycles
  • Inhibitors
  • Chiral Reagents
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
  • chiral
  • (intermediate of paroxetine)