3-Phenyl-1,2,4-oxadiazol-5-amine

Base Information

• Chemical Name: 3-Phenyl-1,2,4-oxadiazol-5-amine
• CAS No.: 3663-37-4
• Molecular Formula: C8H7 N3 O
• Molecular Weight: 161.163
• Hs Code.: 2934999090
• European Community (EC) Number: 222-918-2
• UNII: FYD2ZT7XL9
• DSSTox Substance ID: DTXSID30190100
• Nikkaji Number: J108.683I
• Wikidata: Q83062374
• Mol file: 3663-37-4.mol

Synonyms:3-Phenyl-1,2,4-oxadiazol-5-amine;3663-37-4;5-Amino-3-phenyl-1,2,4-oxadiazole;1,2,4-Oxadiazol-5-amine, 3-phenyl-;EINECS 222-918-2;FYD2ZT7XL9;AI3-61762;UNII-FYD2ZT7XL9;SCHEMBL3407155;DZHVJUCGKWKRTO-UHFFFAOYSA-;DTXSID30190100;BBL028728;STK235393;3-phenyl-1,2,4-oxadiazol-5-ylamine;AKOS002320058;AT13649;1,2,4-Oxadiazole, 5-amino-3-phenyl-;LS-99061;VS-08932;EN300-65535;(3-PHENYL-(1,2,4)OXADIAZOL-5-YL)AMINE;A913635;Z57454949

Chemical Property of 3-Phenyl-1,2,4-oxadiazol-5-amine

Chemical Property:

• Vapor Pressure: 0.000148mmHg at 25°C
• Boiling Point: 332.3°Cat760mmHg
• Flash Point: 154.7°C
• PSA: 65.67000
• Density: 1.276g/cm³
• LogP: 1.24890
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 161.058911855
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

3-Phenyl-1,2,4-oxadiazol-5-amine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NOC(=N2)N

Technology Process of 3-Phenyl-1,2,4-oxadiazol-5-amine

There total 11 articles about 3-Phenyl-1,2,4-oxadiazol-5-amine 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: 82.0%

N-(tert-butyl)-3-phenyl-1,2,4-oxadiazol-5-amine (64734-30-1) → 3-phenyl-1,2,4-oxadiazol-5-amine (3663-37-4)

Guidance literature:

With trifluoroacetic acid; In neat (no solvent); Sealed tube; Reflux;

DOI:10.1039/d0ob01092h

Reference yield: 37.5%

methyl N-cyanobenzenecarboximidoate (6041-23-2) → 5-phenyl-1,2,4-oxadiazol-3-amine (7788-14-9) + 3-phenyl-1,2,4-oxadiazol-5-amine (3663-37-4)

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; In methanol; at 20 ℃; for 1.08333h;

Reference yield: 1.3%

3-phenyl-1,2,4-oxadiazol-5-ylhydrazine (7627-10-3) → 3-phenyl-1,2,4-triazolin-5-one (939-07-1) + 3-phenyl-1,2,4-oxadiazol-5-amine (3663-37-4) + 1-benzylideneamino-3-phenyl-Δ2-1,2,4-triazolin-5-one (78414-70-7) + 2-hydroxy-4,6-diphenyl-1,3,5-triazine (1917-44-8)

Guidance literature:

In decalin; for 3h; Heating;

DOI:10.1039/P19810001703

upstream raw materials:

bromocyane

N-hydroxybenzenecarboximidamide

5-aminotetrazole

benzohydroximoyl chloride

Downstream raw materials:

N-(3-phenyl-[1,2,4]oxadiazol-5-yl)-benzamide

N-methyl-N-(3-phenyl-[1,2,4]oxadiazol-5-yl)-benzamide

N-(4-methyl-3-phenyl-4H-[1,2,4]oxadiazol-5-ylidene)-benzamide

N-methyl-N-(3-phenyl-[1,2,4]oxadiazol-5-yl)-propionamide

Refernces

• 1、 -. "With eliminating free radical effect of the benzopyran-containing cosmetic auxiliary material and its preparation method (by machine translation)". Paragraph 0037-0048. . Retrieved 2019/07/04.
• 2、 -. "NOVEL THERAPEUTIC COMPOUNDS". Page/Page column 163. . Retrieved 2009/03/07.