3-(2,4-Dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

Base Information

• Chemical Name: 3-(2,4-Dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
• CAS No.: 39807-19-7
• Molecular Formula: C12H12 Cl2 N2 O3
• Molecular Weight: 303.145
• European Community (EC) Number: 254-638-1
• DSSTox Substance ID: DTXSID10960368
• Nikkaji Number: J124.963K
• Wikidata: Q82941543
• Mol file: 39807-19-7.mol

Synonyms:39807-19-7;OXADIAZON-HYDROXY;3-(2,4-Dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one;EINECS 254-638-1;5-tert-butyl-3-(2,4-dichloro-5-hydroxyphenyl)-1,3,4-oxadiazol-2-one;5-(tert-Butyl)-3-(2,4-dichloro-5-hydroxyphenyl)-1,3,4-oxadiazol-2(3H)-one;1,3,4-Oxadiazol-2(3H)-one, 3-(2,4-dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-;Oxadiazon phenol;5-tert-Butyl-3-(2,4-dichloro-5-hydroxyphenyl)-1,3,4-oxadiazol-2(3H)-one;SCHEMBL11130699;DTXSID10960368;Oxadiazon-hydroxy 10 microg/mL in Toluene;5-t-butyl-3-(2,4-dichloro-5-hydroxy-phenyl)-3h-[1,3,4] oxadiazol-2-one;5-tert-Butyl-3-(2,4-dichloro-5-hydroxyphenyl)-1,3,4-oxadiazol-2(3H)-one #

Chemical Property of 3-(2,4-Dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

Chemical Property:

• Vapor Pressure: 6.34E-07mmHg at 25°C
• Boiling Point: 398.6°Cat760mmHg
• Flash Point: 194.9°C
• PSA: 68.26000
• Density: 1.46g/cm³
• LogP: 3.13540
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 302.0224976
• Heavy Atom Count: 19
• Complexity: 408

Purity/Quality:

98%Min ^*data from raw suppliers

2-tert-Butyl-4-(2,4-dichloro-5-hydroxyphenyl]-Δ2-1,3,4-oxadiazolin-5-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NN(C(=O)O1)C2=CC(=C(C=C2Cl)Cl)O
• Uses: 2-tert-Butyl-4-(2,4-dic hloro-5-hydroxyphenyl]-Δ2-1,3,4-oxadiazolin-5-one is derived from 2,4-Dichloro-5-nitrophenol (D432070), which is an intermediate used to prepare (5-Substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as Potent Dipeptidyl Peptidase IV Inhibitors. It is also used to synthesize cyanopyrrolo[2,3-d]pyrimidine derivatives as Hsp90 inhibitors.Also, it is a metabolite of Oxadiazon, an herbicide.

Technology Process of 3-(2,4-Dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

There total 1 articles about 3-(2,4-Dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one 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:

→ 3-(2,4-dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one (39807-19-7)

Guidance literature:

1-Trimethylacetyl-2-(2,4-dichlor-5-hydroxyphenyl)-hydrazin,Phosgen;

Reference yield: 96.0%

3-(2,4-dichloro-5-hydroxyphenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one (39807-19-7) + propargyl p-toluenesulfonate (6165-76-0) → oxadiargyl (39807-15-3)

Guidance literature:

With potassium carbonate; In toluene; for 4h; Reagent/catalyst; Solvent; Temperature; Reflux;

Downstream raw materials:

oxadiargyl