(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
(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)
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
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..…
N-Bromosuccinimide Price
- 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
- 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
- Product number
- P205800
- Product name
- Paroxol
- Packaging
- 5g
- Price
- $110
- Updated
- 2021/12/16
- Product number
- P205800
- Product name
- Paroxol
- Packaging
- 25g
- Price
- $215
- Updated
- 2021/12/16
- Product number
- J56953
- Product name
- (3S,4R)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
- Packaging
- 1g
- Price
- $10
- Updated
- 2021/12/16
(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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View Lastest Price from (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine manufacturers
- 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
- 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
- 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