delta(sup 2)-1,3,4-OXADIAZOLIN-5-ONE, 2-PHENYL-

Base Information

• Chemical Name: delta(sup 2)-1,3,4-OXADIAZOLIN-5-ONE, 2-PHENYL-
• CAS No.: 1199-02-6
• Molecular Formula: C8H6 N2 O2
• Molecular Weight: 162.148
• Hs Code.: 2934999090
• Mol file: 1199-02-6.mol

Synonyms:NSC 525342;2-phenyl-2H-1,3,4-oxadiazol-5-one;delta(sup 2)-1,3,4-OXADIAZOLIN-5-ONE, 2-PHENYL-;2-Phenyl-delta(sup 2)-1,3,4-oxadiazolin-5-one;SCHEMBL10833990;LS-99287;F83058

Chemical Property of delta(sup 2)-1,3,4-OXADIAZOLIN-5-ONE, 2-PHENYL-

Chemical Property:

• Vapor Pressure: 2.06E-05mmHg at 25°C
• Melting Point: 136～138℃
• Boiling Point: 242.1°Cat760mmHg
• Flash Point: 115.6°C
• PSA: 58.89000
• Density: 1.38g/cm³
• LogP: 1.02990
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.042927438
• Heavy Atom Count: 12
• Complexity: 209

Purity/Quality:

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

5-Phenyl-1,3,4-oxadiazol-2-ol Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2N=NC(=O)O2

Technology Process of delta(sup 2)-1,3,4-OXADIAZOLIN-5-ONE, 2-PHENYL-

There total 70 articles about delta(sup 2)-1,3,4-OXADIAZOLIN-5-ONE, 2-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: 100.0%

4-(5-phenyl-[1,3,4]oxadiazol-2-ylsulfanyl)-but-2-yn-1-ol → 5-phenyl-3H-[1,3,4]oxadiazol-2-one (1199-02-6)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

DOI:10.1134/S107042800607030X

Reference yield: 100.0%

2-phenyl-5-(prop-2-yn-1-ylthio)-1,3,4-oxadiazole (53957-59-8) → 5-phenyl-3H-[1,3,4]oxadiazol-2-one (1199-02-6)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

DOI:10.1134/S107042800607030X

Reference yield: 100.0%

2-(allylthio)-5-phenyl-1,3,4-oxadiazole (53961-29-8) → 5-phenyl-3H-[1,3,4]oxadiazol-2-one (1199-02-6)

Guidance literature:

With dihydrogen peroxide; In acetic acid;

DOI:10.1134/S107042800607030X

upstream raw materials:

4-phenylimidazolidin-2-one

5-phenylimidazolidine-2,4-dione

biphenyl

1-benzoyl semicarbazide

Downstream raw materials:

2-Oxo-5-phenyl-[1,3,4]oxadiazole-3-carbonyl chloride

4-(3-butenyl)-2-phenyl-Δ²-1,3,4-oxadiazolin-5-one

4-(3-methyl-2-butenyl)-2-phenyl-Δ²-1,3,4-oxadiazolin-5-one

4-(2-butenyl)-2-phenyl-1,3,4-oxadiazolin-5-one

Refernces

• 1、 Soldatova, Natalia S.,Semenov, Artem V.,Geyl, Kirill K.,Baykov, Sergey V.,Shetnev, Anton A.,Konstantinova, Anna S.,Korsakov, Mikhail M.,Yusubov, Mekhman S.,Postnikov, Pavel S.. "Copper-Catalyzed Selective N-Arylation of Oxadiazolones by Diaryliodonium Salts". supporting information. p. 3566 - 3576. Retrieved 2021/06/16.
• 2、 Wang, Shoucai,Wang, Kai,Kong, Xiangfei,Zhang, Shuhua,Jiang, Guangbin,Ji, Fanghua. "DMF as Methine Source: Copper-Catalyzed Direct Annulation of Hydrazides to 1,3,4-Oxadiazoles". supporting information. p. 3986 - 3990. Retrieved 2019/07/31.