2-Phenyl-5-p-tolyl-[1,3,4]oxadiazole

Base Information

• Chemical Name: 2-Phenyl-5-p-tolyl-[1,3,4]oxadiazole
• CAS No.: 1874-47-1
• Molecular Formula: C15H12N2O
• Molecular Weight: 236.273
• NSC Number: 90807
• DSSTox Substance ID: DTXSID60293577
• Nikkaji Number: J1.906.096I
• Wikidata: Q82032403
• ChEMBL ID: CHEMBL1444771
• Mol file: 1874-47-1.mol

Synonyms:2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole;2-Phenyl-5-p-tolyl-[1,3,4]oxadiazole;1874-47-1;MLS000120832;SMR000118227;2-phenyl-5-(p-tolyl)-1,3,4-oxadiazole;NSC90807;TimTec1_007226;SCHEMBL762284;cid_259997;CHEMBL1444771;BDBM49356;DTXSID60293577;HMS1554I10;HMS2347A15;NSC-90807;STK326451;AKOS000574183;CCG-103372;5-Phenyl-2-(p-tolyl)-1,3,4-oxadiazol;AE-848/00984031;SR-01000391476;SR-01000391476-1;2-phenyl-5-(4-methylphenyl)-1,3,4-oxadiazole (2b);Z50150598

Chemical Property of 2-Phenyl-5-p-tolyl-[1,3,4]oxadiazole

Chemical Property:

• Vapor Pressure: 6.6E-06mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 389 °C at 760 mmHg
• Flash Point: 186 °C
• PSA: 38.92000
• Density: 1.149 g/cm³
• LogP: 3.71200
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.094963011
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

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

2-(4-METHYLPHENYL)-5-PHENYL-1,3,4-OXADIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3

Technology Process of 2-Phenyl-5-p-tolyl-[1,3,4]oxadiazole

There total 51 articles about 2-Phenyl-5-p-tolyl-[1,3,4]oxadiazole 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: 96.0%

p-toluic hydrazide (3619-22-5) + triethoxymethylbenzene (1663-61-2) → 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole (1874-47-1)

Guidance literature:

With ammonium chloride; In ethanol; for 2.5h; Reflux;

DOI:10.1016/j.tetlet.2014.10.028

Reference yield: 95.0%

4-methyl benzaldehyde benzoylhydrazone (7253-65-8) → 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole (1874-47-1)

Guidance literature:

With tert-Butyl hypoiodite; carbonic acid dimethyl ester; at 20 ℃; for 0.25h;

DOI:10.1515/hc-2012-0179

Reference yield: 95.0%

4-methyl-benzaldehyde (104-87-0) + benzoic acid hydrazide (613-94-5) → 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazole (1874-47-1)

Guidance literature:

4-methyl-benzaldehyde; benzoic acid hydrazide; In N,N-dimethyl-formamide; at 60 ℃; Inert atmosphere;

With N-ethyl-N,N-diisopropylamine; eosin y; In N,N-dimethyl-formamide; at 20 ℃; for 12h; Irradiation; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.02.022

upstream raw materials:

N'-benzoyl-4′-methylbenzohydrazide

benzoyl chloride

5-(4-methylphenyl)-2H-tetrazole

4-methyl-benzoyl chloride

Downstream raw materials:

4-(5-phenyl-1,3,4-thiadiazol-2-yl)benzaldehyde

2-(4-(bromomethyl)phenyl)-5-phenyl-1,3,4-thiadiazole

2-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazole

4-[s-triazolo[1,5-a]pyrid-2-yl]-4'-(5-phenyl-1,3,4-oxadiazol-2-yl)-stilbene

Refernces

• 1、 Anghel, Catalin,Matache, Mihaela,Paraschivescu, Codruta C.,Madalan, Augustin M.,Andruh, Marius. "A novel 1-D coordination polymer constructed from disilver-1,3,4-oxadiazole nodes and perchlorato bridges". . p. 22 - 25. Retrieved 2017.
• 2、 Ding, Liang,Gao, Junkuo,Zhang, Feng,Zhang, Liang. "Reusable colorimetric and fluorescent chemosensors based on 1,8-naphthalimide derivatives for fluoride ion detection". supporting information. . Retrieved 2020/04/28.
• 3、 Lu, Fangling,Gong, Fengping,Li, Liangsen,Zhang, Kan,Li, Zhen,Zhang, Xinwei,Yin, Ying,Wang, Ying,Gao, Ziwei,Zhang, Heng,Lei, Aiwen. "Electrochemical Synthesis of 2,5-Disubstituted 1,3,4-Oxadiazoles from α-Keto Acids and Acylhydrazines Under Mild Conditions". supporting information. p. 3257 - 3260. Retrieved 2020/05/25.