5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL

Base Information

• Chemical Name: 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL
• CAS No.: 82476-06-0
• Molecular Formula: C₃HF₃N₂O₂
• Molecular Weight: 154.048
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20415854
• Wikidata: Q82224890
• Mol file: 82476-06-0.mol

Synonyms:5-(TRIFLUOROMETHYL)-1,3,4-OXADIAZOL-2-OL;82476-06-0;5-(trifluoromethyl)-3H-1,3,4-oxadiazol-2-one;5-(trifluoromethyl)-1,3,4-oxadiazol-2(3h)-one;5-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-one;SCHEMBL8299796;DTXSID20415854;WBAFTNAJPQGNME-UHFFFAOYSA-N;WBAFTNAJPQGNME-UHFFFAOYSA-O;MFCD15143214;ODC100008;AKOS006332975;AKOS026732163;5-Trifluoromethyl-[1,3,4]oxadiazol-2-ol;CS-0366993;5-trifluoromethyl-1,3,4-oxadiazol-2(3h)-one;F30919;5-(TRIFLUOROMETHYL)-1,3,4-OXADIAZOL-2-OL, 95%;InChI=1/C3HF3N2O2/c4-3(5,6)1-7-8-2(9)10-1/h(H,8,9

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

Chemical Property:

• PSA: 59.15000
• LogP: 0.79400
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 153.99901177
• Heavy Atom Count: 10
• Complexity: 196

Purity/Quality:

95% ^*data from raw suppliers

5-(trifluoromethyl)-1,3,4-oxadiazol-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NNC(=O)O1)C(F)(F)F

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

There total 1 articles about 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL 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: 66.0%

phosgene (75-44-5) + 2,2,2-trifluoroacetohydrazide (1538-08-5) → 2,3-dihydro-2-oxo-5-trifluoromethyl-1,3,4-oxadiazole (82476-06-0)

Guidance literature:

In water; at 10 - 20 ℃; for 0.5h;

DOI:10.1002/hlca.19860690211

Reference yield: 60.0%

2,2-dimethyl-3-(N-methyl-N-phenylamino)-2H-azirine (75755-40-7) + 2,3-dihydro-2-oxo-5-trifluoromethyl-1,3,4-oxadiazole (82476-06-0) → 3,4-Dihydro-4,4-dimethyl-5-(N-methyl-N-phenylamino)-2-oxo-2H-imidazolium-trifluoroacetamidat (128945-20-0)

Guidance literature:

In isopropyl alcohol; for 4h; Ambient temperature;

DOI:10.1002/hlca.19900730230

Reference yield: 8.0%

2,3-dihydro-2-oxo-5-trifluoromethyl-1,3,4-oxadiazole (82476-06-0) + 2-Methyl-2-(1-methylethyl)-3-(N-methyl-N-phenylamino)-2H-azirin (128945-19-7) → 4,5-Dihydro-5-isopropyl-5-methyl-6-(N-methyl-N-phenylamino)-1,2,4-triazin-3(2H)-on (128945-24-4) + 3,4-Dihydro-4-isopropyl-4-methyl-5-(N-methyl-N-phenylamino)-2-oxo-2H-imidazolium-trifluoroacetamidat (128945-23-3)

Guidance literature:

In isopropyl alcohol; for 24h; Ambient temperature;

DOI:10.1002/hlca.19900730230

upstream raw materials:

phosgene

2,2,2-trifluoroacetohydrazide

Downstream raw materials:

3,4-Dihydro-4,4-dimethyl-5-(N-methyl-N-phenylamino)-2-oxo-2H-imidazolium-trifluoroacetamidat

4,5-Dihydro-5-isopropyl-5-methyl-6-(N-methyl-N-phenylamino)-1,2,4-triazin-3(2H)-on

3,4-Dihydro-4-isopropyl-4-methyl-5-(N-methyl-N-phenylamino)-2-oxo-2H-imidazolium-trifluoroacetamidat

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