5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-amine

Base Information

• Chemical Name: 5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-amine
• CAS No.: 506407-84-7
• Molecular Formula: C12H15N3O
• Molecular Weight: 217.271
• DSSTox Substance ID: DTXSID90372268
• Wikidata: Q82159870
• ChEMBL ID: CHEMBL1463993
• Mol file: 506407-84-7.mol

Synonyms:5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-amine;506407-84-7;5-(4-(tert-Butyl)phenyl)-1,3,4-oxadiazol-2-amine;5-[4-(tert-butyl)phenyl]-1,3,4-oxadiazol-2-amine;Maybridge3_005672;MLS000861918;SCHEMBL417379;CHEMBL1463993;DTXSID90372268;OISTTWCWVFSFNE-UHFFFAOYSA-N;HMS1447B18;HMS2808A11;AOD100085;CCG-48022;MFCD00099616;STL479649;AKOS000158875;IDI1_017059;BS-17158;SMR000460702;CS-0187061;C75376;EN300-235721;SR-01000004085;SR-01000004085-1;SR-01000004085-2;5-(4-tert-Butylphenyl)-[1,3,4]oxadiazol-2-ylamine;F2145-0168

Chemical Property of 5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-amine

Chemical Property:

• PSA: 65.67000
• LogP: 2.54640
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.121512110
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-amine

There total 4 articles about 5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-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: 86.0%

4-tert-butylbenzaldehyde semicarbazone → 2-amino-5-(4-tert-butylphenyl)[1,3,4]oxadiazole (506407-84-7)

Guidance literature:

With carbon tetrabromide; eosin y; In acetonitrile; at 20 ℃; Irradiation;

DOI:10.1055/s-0034-1380493

Reference yield: 61.0%

2-(4-t-butylbenzoyl)hydrazinecarbothioamide → 2-amino-5-(4-tert-butylphenyl)[1,3,4]oxadiazole (506407-84-7)

Guidance literature:

With Oxone; iodine; sodium hydroxide; In water; isopropyl alcohol; at 0 - 20 ℃; for 0.5h;

DOI:10.3184/174751912X13551638283701

Reference yield:

4-tert-butylbenzoic acid hydrazide (43100-38-5) + bromocyane (506-68-3) → 2-amino-5-(4-tert-butylphenyl)[1,3,4]oxadiazole (506407-84-7)

Guidance literature:

With potassium hydrogencarbonate; In water; acetonitrile;

DOI:10.1071/CH05070

upstream raw materials:

hydrazine carboxamide

4-(1,1-dimethylethyl)benzoic acid

4-tert-butylbenzoic acid hydrazide

bromocyane

Downstream raw materials:

3-(4-tert-Butylphenyl)-5-methoxy-4H-[1,2,4]triazole

Refernces

• 1、 Shinde, Vikas N.,Ugarkar, Bheemarao G.,Ghorpade, Sandeep R.. "A convenient synthesis of 5-substituted 2-amino-1,3,4-oxadiazoles from corresponding acylthiosemicarbazides using iodine and Oxone". . p. 53 - 54. Retrieved 2013/04/10.
• 2、 Fallon, Gary D.,Francis, Craig L.,Johansson, Katarina,Liepa, Andris J.,Woodgate, Ruth C. J.. "N,N-dialkyl-N′-chlorosulfonylchloroformamidines in heterocyclic synthesis. II. Thiazolo-, thiadiazolo-, and oxadiazolo-fused [1,2,4,6]thiatriazine dioxides". . p. 891 - 900. Retrieved 2007/10/03.