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

Base Information

• Chemical Name: 2-(1-Naphthyl)-5-phenyl-1,3,4-oxadiazole
• CAS No.: 897-18-7
• Molecular Formula: C18H12 N2 O
• Molecular Weight: 272.306
• Hs Code.: 2934999090
• European Community (EC) Number: 212-979-3
• DSSTox Substance ID: DTXSID00237859
• Nikkaji Number: J195.194G
• Wikidata: Q83120107
• Mol file: 897-18-7.mol

Synonyms:2-(1-Naphthyl)-5-phenyl-1,3,4-oxadiazole;897-18-7;2-(naphthalen-1-yl)-5-phenyl-1,3,4-oxadiazole;.alpha.-Npd;2-naphthalen-1-yl-5-phenyl-1,3,4-oxadiazole;1,3,4-Oxadiazole,2-(1-naphthalenyl)-5-phenyl-;EINECS 212-979-3;C18H12N2O;Maybridge4_001977;SCHEMBL4333750;DTXSID00237859;HMS1526J19;MFCD00045583;AKOS024318928;NCGC00177055-01;2-Phenyl-5-(1-naphthyl)-l,3,4-oxadiazol;CS-0459335;FT-0608378;5-(1-Naphthyl)-2-phenyl-1,3,4-oxadiazole;1,3,4-Oxadiazole, 2-(1-naphthyl)-5-phenyl-;1,3,4-Oxadiazole, 2-(1-naphthalenyl)-5-phenyl-;BRD-K48838944-001-01-9

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

Chemical Property:

• Vapor Pressure: 1.18E-08mmHg at 25°C
• Melting Point: 122-124°C
• Boiling Point: 472.8°C at 760 mmHg
• Flash Point: 241.3°C
• PSA: 38.92000
• Density: 1.219g/cm³
• LogP: 4.55680
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 272.094963011
• Heavy Atom Count: 21
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC4=CC=CC=C43

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

There total 17 articles about 2-(1-Naphthyl)-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: 94.0%

N'-(naphthalen-1-ylmethylene)benzohydrazide (24090-92-4) → 2-(1-naphthyl)-5-phenyl-1,3,4-oxadiazole (897-18-7)

Guidance literature:

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

DOI:10.1515/hc-2012-0179

Reference yield: 93.0%

iodobenzene (591-50-4) + tert-butylisonitrile (119072-55-8,7188-38-7) + 1-naphthohydrazide (43038-45-5) → 2-(1-naphthyl)-5-phenyl-1,3,4-oxadiazole (897-18-7)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; sodium acetate; In N,N-dimethyl-formamide; at 130 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c5ob01328c

Reference yield: 91.0%

2-phenyl-1,3,4-oxadiazole (825-56-9) + 1-Naphthylboronic acid (13922-41-3) → 2-(1-naphthyl)-5-phenyl-1,3,4-oxadiazole (897-18-7)

Guidance literature:

With [2,2]bipyridinyl; potassium phosphate; copper diacetate; palladium diacetate; In dimethyl sulfoxide; at 100 ℃; for 12h;

DOI:10.1016/j.tet.2012.12.080

upstream raw materials:

N-benzoyl-N'-[1]naphthoyl-hydrazine

benzoic acid hydrazide

naphthalene-1-carbonic acid chloride

2-phenyl-1,3,4-oxadiazole

Refernces

• 1、 Wang, Liang,Wang, Yaoyao,Chen, Qun,He, Mingyang. "Photocatalyzed facile synthesis of 2,5-diaryl 1,3,4-oxadiazoles with polyaniline-?g-C3N4-TiO2 composite under visible light". supporting information. p. 1489 - 1492. Retrieved 2018/03/13.
• 2、 -. "A process for preparing 2, 5 - disubstituted - 1, 3, 4 - oxadiazoles (by machine translation)". Paragraph 0031; 0032; 0033; 0034; 0035; 0071-0075. . Retrieved 2017/07/19.