Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-

Base Information

• Chemical Name: Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-
• CAS No.: 10364-68-8
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.202
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50145970
• Nikkaji Number: J1.859.706C
• Wikidata: Q83010690
• Mol file: 10364-68-8.mol

Synonyms:5-ethyl-3-phenyl-1,2,4-oxadiazole;10364-68-8;Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-;Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-,;3-Phenyl-5-ethyl-1,2,4-oxadiazole;1,2,4-Oxadiazole,5-ethyl-3-phenyl-;SCHEMBL91541;DTXSID50145970

Chemical Property of Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-

Chemical Property:

• Vapor Pressure: 0.00278mmHg at 25°C
• Refractive Index: 1.535
• Boiling Point: 294.8 °Cat760mmHg
• Flash Point: 131.2 °C
• PSA: 38.92000
• Density: 1.111g/cm³
• LogP: 2.29900
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC(=NO1)C2=CC=CC=C2

Technology Process of Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-

There total 19 articles about Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl- 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: 99.0%

O-propionylbenzamidoxime → 5-ethyl-3-phenyl-[1,2,4]oxadiazole (10364-68-8)

Guidance literature:

In dichloromethane; for 3h; Reflux;

Reference yield: 95.0%

propionic acid anhydride (123-62-6) + N-hydroxybenzenecarboximidamide (613-92-3) → 5-ethyl-3-phenyl-[1,2,4]oxadiazole (10364-68-8)

Guidance literature:

In neat (no solvent); at 80 ℃; for 0.0833333h; Green chemistry;

DOI:10.1080/00397911.2014.883633

Reference yield: 92.0%

N-hydroxybenzenecarboximidamide (613-92-3) + C8H14O4 → 5-ethyl-3-phenyl-[1,2,4]oxadiazole (10364-68-8)

Guidance literature:

In neat (no solvent); at 80 ℃; for 0.116667h; Green chemistry;

DOI:10.1080/00397911.2014.883633

upstream raw materials:

propionic acid anhydride

N-hydroxybenzenecarboximidamide

benzonitrile oxide

propiononitrile

Downstream raw materials:

5-(1-methyl-2-phenyl-vinyl)-3-phenyl-[1,2,4]oxadiazole

5-ethyl-3-(3-nitro-phenyl)-[1,2,4]oxadiazole

dimethyl (E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenylamine

5-[3-(2,6-dichlorophenyl)isoxazol-4-yl]-3-phenyl-1,2,4-oxadiazole

Refernces

• 1、 Wang, Xuetong,Wang, Yin,Liu, Xiaoling,He, Tingshu,Li, Lingli,Wu, Huili,Zhou, Shangjun,Li, Dan,Liao, Siwei,Xu, Ping,Huang, Xing,Yuan, Jianyong. "Imidazole hydrochloride promoted synthesis of 3,5-disubstituted-1,2,4-oxadiazoles". . . Retrieved 2021/10/14.
• 2、 Yoshimura, Akira,Nguyen, Khiem C.,Klasen, Scott C.,Saito, Akio,Nemykin, Victor N.,Zhdankin, Viktor V.. "Preparation, structure, and versatile reactivity of pseudocyclic benziodoxole triflate, new hypervalent iodine reagent". supporting information. p. 7835 - 7838. Retrieved 2015/05/13.