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-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
- Molecular Weight:
- 262.7
- MDL Number:
- MFCD17926378
- MOL File:
- 957208-65-0.mol
- MSDS File:
- SDS
| 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 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene price More Price(3)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Alichem | 957208650 | 4-Chloromethyl-1-cyclopentyl-2-trifluoromethyl-benzene | 957208-65-0 | 250mg | $174.9 | 2021-12-16 | Buy |
| Crysdot | CD12001671 | 4-(Chloromethyl)-1-cyclopentyl-2-(trifluoromethyl)benzene 97% | 957208-65-0 | 1g | $395 | 2021-12-16 | Buy |
| Alichem | 957208650 | 4-Chloromethyl-1-cyclopentyl-2-trifluoromethyl-benzene | 957208-65-0 | 1g | $402.99 | 2021-12-16 | Buy |
4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene Chemical Properties,Uses,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
4-ChloroMethyl-1-cyclopentyl-2-trifluoroMethyl-benzene Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Unibest Industrial Co.,Ltd. | +86-8657427855777 +86-18758850676 | info@unibestcn.com | China | 197 | 58 |
| Jinan Carbotang Biotech Co.,Ltd. | +8615866703830 | figo.gao@foxmail.com | China | 7154 | 58 |
| ENBRIDGE PHARMTECH CO., LTD. | +8613812269233 | tinayang@enbridgepharm.com | China | 303 | 58 |
| Blocksynth Pharmaceutical Technology Co.,Ltd | 0086-19817745290; +8619817745290 | bd@blocksynth.com | China | 5660 | 58 |
| Wisdom Drugs Co .,Ltd | +86-0519-85556805 | Sales3@wisdomdrugs.com | China | 375 | 58 |
| Aromsyn Co., Ltd. | +86-0571-85585865 +8613336024896 | CB@aromsyn.com | China | 19185 | 58 |
| Chemtour Biotech Co., Ltd | +8617327281506 | market@chemtour.com | China | 1460 | 58 |
| Aceschem Inc. | +1-817863-6948 +1-（817）863-6948 | sales@aceschem.com | United States | 19639 | 58 |
| Amadis Chemical Company Limited | 571-89925085 | sales@amadischem.com | China | 131980 | 58 |
| Chemipanda Bio-Tech Co., Ltd. | +86-571-85224801; 13588483690 | chemipanda2010@163.com | China | 101 | 62 |