2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
• CAS No.: 842-79-5
• Molecular Formula: C15H12 N2 O2
• Molecular Weight: 252.272
• Hs Code.: 2934999090
• European Community (EC) Number: 212-675-0
• NSC Number: 90371
• DSSTox Substance ID: DTXSID50233124
• Nikkaji Number: J195.114I
• Wikidata: Q83114479
• ChEMBL ID: CHEMBL1374655
• Mol file: 842-79-5.mol

Synonyms:2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole;842-79-5;EINECS 212-675-0;NSC90371;Cambridge id 5404114;Oprea1_440867;Oprea1_824164;MLS001001223;CHEMBL1374655;DTXSID50233124;BDBM192666;HMS1581A19;HMS2816B13;NSC 90371;NSC-90371;STK415601;AKOS000495361;NCGC00245600-01;SMR000496290;BB 0238375;2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazol;AB00084151-01;AE-848/00215038;SR-01000207985;SR-01000207985-1;2-(4-Methoxy-phenyl)-5-phenyl-[1,3,4]oxadiaz ole;2-phenyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole (2h);METHYL 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)PHENYL ETHER

Chemical Property of 2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole

Chemical Property:

• Vapor Pressure: 1.16E-06mmHg at 25°C
• Boiling Point: 413.3°C at 760 mmHg
• Flash Point: 203.8°C
• PSA: 48.15000
• Density: 1.182g/cm³
• LogP: 3.41220
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 252.089877630
• Heavy Atom Count: 19
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3

Technology Process of 2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole

There total 66 articles about 2-(4-Methoxyphenyl)-5-phenyl-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: 100.0%

(E)-N′-(4-methoxybenzylidene)benzohydrazide (14850-87-4) → 2-(4-methoxy-phenyl)-5-phenyl-[1,3,4]oxadiazole (842-79-5)

Guidance literature:

With potassium permanganate; In water; acetone; for 0.133333h; microwave irradiation;

DOI:10.1016/j.tetlet.2004.09.095

Reference yield: 98.6%

2-phenyl-1,3,4-oxadiazole (825-56-9) + para-iodoanisole (696-62-8) → 2-(4-methoxy-phenyl)-5-phenyl-[1,3,4]oxadiazole (842-79-5)

Guidance literature:

With copper(II) 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine; 1-aza-4,6,11-trioxa-5-boratricyclo[3.3.3.0(1,5)]undecane; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 70 ℃; for 20h; Reagent/catalyst; Solvent; Catalytic behavior; Inert atmosphere;

Reference yield: 97.0%

4-methoxybenzoic acid hydrazide (3290-99-1) + triethoxymethylbenzene (1663-61-2) → 2-(4-methoxy-phenyl)-5-phenyl-[1,3,4]oxadiazole (842-79-5)

Guidance literature:

With ammonium chloride; In ethanol; for 2h; Reflux;

DOI:10.1016/j.tetlet.2014.10.028

upstream raw materials:

1-benzoyl-2-(4-methoxybenzoyl)hydrazine

2-(4-hydroxyphenyl)-5-phenyl-1,3,4-oxadiazole

dimethyl sulfate

4-methoxy-benzoic acid N'-thiobenzoyl-hydrazide

Downstream raw materials:

2-(4-hydroxyphenyl)-5-phenyl-1,3,4-oxadiazole

11-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-phenoxy]-undecan-1-ol

C₂₉H₃₆N₂O₄

2-(10'-(p-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy)decanoxy)-1,4-bis(bromomethyl)benzene

Refernces

• 1、 Paidi, Karuna Raman,Kolli, Murali Krishna,Reddy, Eeda Koti,Pedakotla, Venkata Ramana. "Sodium hypochlorite-mediated synthesis of 2,5-disubstituted 1,3,4-oxadiazoles from hydrazides and aldehydes". . p. 371 - 376. Retrieved 2020/05/04.
• 2、 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.