3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid

Base Information

• Chemical Name: 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
• CAS No.: 1092400-82-2
• Molecular Formula: C10H5F3N2O3
• Molecular Weight: 258.157
• Hs Code.: 2934999090
• Mol file: 1092400-82-2.mol

Synonyms:PBA

Chemical Property of 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid

Chemical Property:

• Appearance/Colour: white crystal powder
• Melting Point: 114-117℃
• Boiling Point: 365.2 °C at 760 mmHg
• PKA: 3.54±0.10(Predicted)
• Flash Point: 174.7 °C
• PSA: 76.22000
• Density: 1.518 g/cm³
• LogP: 2.45360
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid

There total 2 articles about 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 42.0%

trifluoroacetic anhydride (407-25-0) + (Z)-3-(N'–hydroxycarbamimidoyl)benzoic acid → 3-(5-(trifluoromethyl)-1,2,4–oxadiazol–3–yl)benzoic acid (1092400-82-2)

Guidance literature:

With pyridine; for 3h; Reflux;

DOI:10.1021/jm800869t

Reference yield: 28.0%

3-(N'-hydroxycarbamimidoyl)benzoic acid (199447-10-4) + trifluoroacetic anhydride (407-25-0) → 3-(5-(trifluoromethyl)-1,2,4–oxadiazol–3–yl)benzoic acid (1092400-82-2)

Guidance literature:

With pyridine; at 0 - 50 ℃; for 3h;

Reference yield: 69.0%

3-(5-(trifluoromethyl)-1,2,4–oxadiazol–3–yl)benzoic acid (1092400-82-2) + N-(5-aminopentyl)-5-cyclopropyl-[2,2'-bithiazole]-4-carboxamide → 5-cyclopropyl-N-(5-(4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamido)pentyl)-[2,2'-bithiazole]-4-carboxamide

Guidance literature:

3-(5-(trifluoromethyl)-1,2,4–oxadiazol–3–yl)benzoic acid; N-(5-aminopentyl)-5-cyclopropyl-[2,2'-bithiazole]-4-carboxamide; With dmap; In dichloromethane; at 0 ℃; for 0.0833333h; Inert atmosphere;

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.ejmech.2016.02.003

upstream raw materials:

trifluoroacetic anhydride

3-(N'-hydroxycarbamimidoyl)benzoic acid

Downstream raw materials:

N-((4-(2-phenylthiazol-4-yl)tetrahydro-2H-pyran-4-yl)methyl)-3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide

N-((4-(4-(pyridin-2-yl)thiazol-2-yl)tetrahydro-2H-pyran-4-yl)methyl)-3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide

(N-(2-methyl-2-(2-phenyloxazol-4-yl)propyl)-3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide)

Refernces

• 1、 -. "METHODS OF USE OF A CLASS llA HDAC INHIBITOR". Paragraph 87. . Retrieved 2017/08/01.
• 2、 -. "COMPOUNDS AND METHODS". Page/Page column 39; 40. . Retrieved 2013/03/26.