4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene

Product Name: 4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene
CAS No.: 957208-65-0
Chemical Name: 4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene
Synonyms: Etrasimod Impurity 4;4-Cyclopentyl-3-(trifluoromethyl)benzyl Chloride;4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene;Benzene, 4-(chloromethyl)-1-cyclopentyl-2-(trifluoromethyl)-;4-CHLOROMETHYL-1-CYCLOPENTYL-2-TRIFLUOROMETHYL-BENZENE(WXG02030)
CBNumber: CB12603653
Molecular Formula: C13H14ClF3
Formula Weight: 262.7
MOL File: 957208-65-0.mol

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4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene Property

Boiling point:: 293.7±35.0 °C(Predicted)
Density: 1.226±0.06 g/cm3(Predicted)
InChI: InChI=1S/C13H14ClF3/c14-8-9-5-6-11(10-3-1-2-4-10)12(7-9)13(15,16)17/h5-7,10H,1-4,8H2
InChIKey: NUFXNFBJDGCADP-UHFFFAOYSA-N
SMILES: C1(C2CCCC2)=CC=C(CCl)C=C1C(F)(F)F

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

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

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

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

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N-Bromosuccinimide Price

Alichem

Product number: 957208650
Product name: 4-Chloromethyl-1-cyclopentyl-2-trifluoromethyl-benzene
Packaging: 250mg
Price: $174.9
Updated: 2021/12/16

Crysdot

Product number: CD12001671
Product name: 4-(Chloromethyl)-1-cyclopentyl-2-(trifluoromethyl)benzene
Purity: 97%
Packaging: 1g
Price: $395
Updated: 2021/12/16

Alichem

Product number: 957208650
Product name: 4-Chloromethyl-1-cyclopentyl-2-trifluoromethyl-benzene
Packaging: 1g
Price: $402.99
Updated: 2021/12/16

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4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene Chemical Properties,Usage,Production

Uses

4-chloromethyl-1-cyclopentyl-2-(trifluoromethyl)benzene is a precursor of APD334, which is a potent functional antagonist of S1P1 and has a favourable PK/PD profile, producing robust lymphocyte lowering at relatively low plasma concentrations in several preclinical species[1].

Synthesis

A two-step scalable process was developed starting from commercially available and inexpensive starting materials. An iron(III) chloride-catalyzed aryl–alkyl cross-coupling reaction provided the intermediate 1-cyclopentyl-2-(trifluoromethyl)benzene (9), which was converted to the target building block 4-chloromethyl-1-cyclopentyl-2-(trifluoromethyl)benzene by a direct regioselective chloromethylation reaction with trioxane/thionyl chloride or chlorosulfonic acid in sulfuric acid[2].

References

[1] Daniel J. Buzard*. “Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor.” ACS Medicinal Chemistry Letters 5 12 (2014): 1313–1317.
[2] Dipanjan Sengupta. “An Efficient Scale-Up Process for the Preparation of the APD334 Precursor 4-Chloromethyl-1-cyclopentyl-2-(trifluoromethyl)benzene.” Organic Process Research Development 19 6 (2015): 618–623.

4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene Preparation Products And Raw materials

Raw materials

Preparation Products

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4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene Suppliers

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View Lastest Price from 4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene manufacturers

Jinan Ruitong Biotech Co., Ltd.

Product: 4-(Chloromethyl)-1-cyclopentyl-2-(trifluoromethyl)benzene 957208-65-0
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 1
Release date: 2025-08-25

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: 4-(Chloromethyl)-1-Cyclopentyl-2-(Trifluoromethyl)Benzene 957208-65-0
Price: US $2.00-6.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 100kg
Release date: 2025-08-05

957208-65-0, 4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzeneRelated Search:

4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene

4-CHLOROMETHYL-1-CYCLOPENTYL-2-TRIFLUOROMETHYL-BENZENE(WXG02030)

Benzene, 4-(chloromethyl)-1-cyclopentyl-2-(trifluoromethyl)-

Etrasimod Impurity 4

4-Cyclopentyl-3-(trifluoromethyl)benzyl Chloride

957208-65-0