4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
- CAS No.
- 340736-76-7
- Chemical Name:
- 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
- Synonyms
- HDAC4 ligand-2;4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid;Benzoic acid, 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-
- CBNumber:
- CB42489672
- Molecular Formula:
- C10H5F3N2O3
- Molecular Weight:
- 258.15
- MDL Number:
- MFCD16659622
- MOL File:
- 340736-76-7.mol
- MSDS File:
- SDS
| Melting point | 169-171℃ |
|---|---|
| Boiling point | 346℃ |
| Density | 1.518 |
| Flash point | 163℃ |
| storage temp. | 2-8°C |
| solubility | DMSO |
| form | Solid |
| pka | 3.26±0.10(Predicted) |
| color | Off-White |
| InChI | InChI=1S/C10H5F3N2O3/c11-10(12,13)9-14-7(15-18-9)5-1-3-6(4-2-5)8(16)17/h1-4H,(H,16,17) |
| InChIKey | WJQLFPSEXHEXRM-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(C2N=C(C(F)(F)F)ON=2)C=C1 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid price More Price(54)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Usbiological | 429287 | 4-(5-Trifluoromethyl-1,2,4-oxadiazol-3-yl)-benzoic Acid | 340736-76-7 | 10mg | $425 | 2026-06-03 | Buy |
| Usbiological | 429287 | 4-(5-Trifluoromethyl-1,2,4-oxadiazol-3-yl)-benzoic Acid | 340736-76-7 | 25mg | $672 | 2026-06-03 | Buy |
| TRC | TRC-T791530-25MG | 4-(5-Trifluoromethyl-1,2,4-oxadiazol-3-yl)-benzoic Acid | 340736-76-7 | 25mg | $339 | 2026-06-03 | Buy |
| TRC | TRC-T791530-10MG | 4-(5-Trifluoromethyl-1,2,4-oxadiazol-3-yl)-benzoic Acid | 340736-76-7 | 10mg | $167 | 2026-06-03 | Buy |
| TRC | TRC-T791530-100MG | 4-(5-Trifluoromethyl-1,2,4-oxadiazol-3-yl)-benzoic Acid | 340736-76-7 | 100mg | $1007 | 2026-06-03 | Buy |
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid Chemical Properties,Uses,Production
Uses
4-(5-Trifluoromethyl-1,2,4-oxadiazol-3-yl)-benzoic Acid is an intermediate in the synthesis of small molecule inhibitors of HIV-1 gp41.
Synthesis
407-25-0
![4-[(Z)-Amino(hydroxyimino)methyl]benzoic acid](/CAS/20140525/GIF/CB82556967.gif)
23610-05-1
340736-76-7
General procedure for the synthesis of 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid from trifluoroacetic anhydride and 4-[(Z)-amino(hydroxyiminomethyl)methyl]benzoic acid: a solution of tetrahydrofuran (2.5 L) of 4-[(Z)-N'-hydroxyformamidinyl]benzoic acid (200 g, 1.0 equiv) was treated with trifluoroacetic anhydride (350 g, 1.5 equivalent) treatment. The reaction mixture was stirred at room temperature overnight. After completion of the reaction, the reaction mixture was diluted with methyl tert-butyl ether and washed with saturated aqueous sodium bicarbonate. The organic layer was separated and concentrated under reduced pressure to remove the solvent to give the crude product. The crude product was purified by recrystallization from diisopropyl ether to afford 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid as a light brown solid (220 g, 76% yield).1H NMR (400 MHz, DMSO-d6, 298 K): δ [ppm] = 13.40 (broad single peak, 1H), 8.22-8.10 (multiple peaks 4H).
References
[1] Patent: WO2017/76739, 2017, A1. Location in patent: Page/Page column 100
[2] Patent: WO2017/93019, 2017, A1. Location in patent: Page/Page column 66
[3] Patent: WO2017/211650, 2017, A1. Location in patent: Page/Page column 28
[4] Patent: WO2017/211652, 2017, A1. Location in patent: Page/Page column 19
[5] Journal of Medicinal Chemistry, 2008, vol. 51, # 24, p. 7843 - 7854
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai XinKai Chemical Technology Co., Ltd. | 021-58930698 15921516558 | zhangyichao84@126.com | China | 971 | 55 |
| Adamas Reagent, Ltd. | 400-6009262 15618770481 | yhx@titansci.com | China | 14098 | 59 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| Shanghai Longsheng chemical Co.,Ltd. | 58099637 13585536065 | sales@shlschem.com | China | 9880 | 59 |
| EnciPharmatech Co., Ltd | 025-52714267-66 13813902930 | stephen_shengll@hotmail.com | China | 231 | 64 |
| China Langchem Inc. | 0086-21-58956006 | China | 7798 | 57 | |
| Hunan Hui Bai Shi Biotechnology Co., Ltd. | 0731-85526065 13308475853 | ivy@hnhbsj.com | China | 7236 | 62 |
| Shanghai T&W Pharmaceutical Co., Ltd. | +86 21 61551611 | China | 9874 | 58 | |
| Jiangsu Aikon Biopharmaceutical R&D co.,Ltd. | 025-66113011 13913916777 | cfzhang@aikonchem.com | China | 19902 | 55 |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
View Lastest Price from 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2020-01-13 | 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
340736-76-7
|
$6.68 | 1KG | 97%-99% | 1kg-1000kg | Career Henan Chemical Co |
-
- 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
340736-76-7
- $6.68
- 97%-99%
- Career Henan Chemical Co
