2-Phenyl-5-propyl-1,3,4-oxadiazole

Base Information

• Chemical Name: 2-Phenyl-5-propyl-1,3,4-oxadiazole
• CAS No.: 138723-98-5
• Molecular Formula: C11H12N2O
• Molecular Weight: 188.229
• DSSTox Substance ID: DTXSID90565916
• Nikkaji Number: J456.375A
• Wikidata: Q82451255
• Mol file: 138723-98-5.mol

Synonyms:2-phenyl-5-propyl-1,3,4-oxadiazole;138723-98-5;2-phenyl-5-propyl-[1,3,4]oxadiazole;SCHEMBL21303556;DTXSID90565916;AKOS002868401

Chemical Property of 2-Phenyl-5-propyl-1,3,4-oxadiazole

Chemical Property:

• PSA: 38.92000
• LogP: 2.68910
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 188.094963011
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NN=C(O1)C2=CC=CC=C2

Technology Process of 2-Phenyl-5-propyl-1,3,4-oxadiazole

There total 12 articles about 2-Phenyl-5-propyl-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: 95.0%

5‐propyl‐1H‐1,2,3,4‐tetrazole (14389-13-0) + pivaloyl chloride (3282-30-2) → 2‐phenyl‐5‐propyl‐1,3,4‐oxadiazole (138723-98-5)

Guidance literature:

With dmap; In toluene; at 110 ℃; for 16h; Inert atmosphere;

DOI:10.1002/chem.201902917

Reference yield: 94.1%

benzonitrile (100-47-0) + butan-1-ol (71-36-3) → 2‐phenyl‐5‐propyl‐1,3,4‐oxadiazole (138723-98-5)

Guidance literature:

With ammonium cerium (IV) nitrate; 1-hydroxycyclohexyl 1-hydroperoxycyclohexyl peroxide; N,N,N,N,-tetramethylethylenediamine; tris(2,4,6-trimethoxyphenyl)phosphine; In 1,4-dioxane; benzene; at 85 ℃; for 9h; Temperature; Reagent/catalyst; Solvent;

Reference yield: 92.0%

N'-(n-butylidene)benzohydrazide (99840-61-6) → 2‐phenyl‐5‐propyl‐1,3,4‐oxadiazole (138723-98-5)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; magnesium sulfate; ferric nitrate; In 5,5-dimethyl-1,3-cyclohexadiene; at 35 ℃; for 6h;

upstream raw materials:

butyric acid benzylidenehydrazide

N'-(n-butylidene)benzohydrazide

triethyl orthobutyrate

benzoic acid hydrazide