4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
- Product Name
- 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
- 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
- Formula Weight
- 258.15
- MOL File
- 340736-76-7.mol
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid Property
- 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
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.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- T791530
- Product name
- 4-(5-Trifluoromethyl-1,2,4-oxadiazol-3-yl)-benzoicAcid
- Packaging
- 10mg
- Price
- $130
- Updated
- 2021/12/16
- Product number
- J98645
- Product name
- 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
- Packaging
- 250mg
- Price
- $90
- Updated
- 2021/12/16
- Product number
- HCH0036943
- Product name
- 4-(5-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $852.55
- Updated
- 2021/12/16
- Product number
- HCH0036943
- Product name
- 4-(5-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID
- Purity
- 95.00%
- Packaging
- 2.5G
- Price
- $1227.82
- Updated
- 2021/12/16
- Product number
- 49079
- Product name
- 4-(5-Trifluoromethyl-1,2,4-oxadiazol-3-yl)-benzoicAcid
- Packaging
- 100mg
- Price
- $1250
- Updated
- 2021/12/16
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid Chemical Properties,Usage,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
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
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View Lastest Price from 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid manufacturers
- Product
- 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid 340736-76-7
- Price
- US $6.68/KG
- Min. Order
- 1KG
- Purity
- 97%-99%
- Supply Ability
- 1kg-1000kg
- Release date
- 2020-01-10