5-(1-(4-(2-Methylpropyl)phenyl)ethyl)-N-phenyl-1,3,4-oxadiazol-2-amine

Base Information

• Chemical Name: 5-(1-(4-(2-Methylpropyl)phenyl)ethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
• CAS No.: 184706-24-9
• Molecular Formula: C₂₀H₂₃N₃O
• Molecular Weight: 321.422
• DSSTox Substance ID: DTXSID30939879
• Nikkaji Number: J777.124J
• Mol file: 184706-24-9.mol

Synonyms:184706-24-9;5-(1-(4-(2-Methylpropyl)phenyl)ethyl)-N-phenyl-1,3,4-oxadiazol-2-amine;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-N-phenyl-1,3,4-oxadiazol-2-amine;1,3,4-Oxadiazol-2-amine, 5-(1-(4-(2-methylpropyl)phenyl)ethyl)-N-phenyl-;DTXSID30939879;CKVQGZXGBXBGCS-UHFFFAOYSA-N;LS-99057;2-[1-(4-Isobutylphenyl)ethyl]-5-(phenylamino)-1,3,4-oxadiazole;5-{1-[4-(2-Methylpropyl)phenyl]ethyl}-N-phenyl-1,3,4-oxadiazol-2(3H)-imine

Chemical Property of 5-(1-(4-(2-Methylpropyl)phenyl)ethyl)-N-phenyl-1,3,4-oxadiazol-2-amine

Chemical Property:

• Vapor Pressure: 7.79E-09mmHg at 25°C
• Boiling Point: 465.3°C at 760 mmHg
• Flash Point: 235.2°C
• PSA: 54.18000
• Density: 1.117g/cm³
• LogP: 4.58540
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 321.184112366
• Heavy Atom Count: 24
• Complexity: 362

Purity/Quality:

5-[1-[4-(2-METHYLPROPYL)PHENYL]ETHYL]-N-PHENYL-1,3,4-OXADIAZOL-2-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CC=C(C=C1)C(C)C2=NN=C(O2)NC3=CC=CC=C3

Technology Process of 5-(1-(4-(2-Methylpropyl)phenyl)ethyl)-N-phenyl-1,3,4-oxadiazol-2-amine

There total 3 articles about 5-(1-(4-(2-Methylpropyl)phenyl)ethyl)-N-phenyl-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: 75.0%

2-(2-(4-isobutylphenyl)propanoyl)-N-phenylhydrazine-1-carbothioamide (127222-71-3) → {5-[1-(4-Isobutyl-phenyl)-ethyl]-[1,3,4]oxadiazol-2-yl}-phenyl-amine (184706-24-9)

Guidance literature:

With sodium hydroxide; iodine; potassium iodide; In ethanol; Ambient temperature; pH 9;

DOI:10.1016/0223-5234(96)83976-6

Reference yield:

phenyl isothiocyanate (103-72-0) → {5-[1-(4-Isobutyl-phenyl)-ethyl]-[1,3,4]oxadiazol-2-yl}-phenyl-amine (184706-24-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / ethanol / 0.5 h / Heating

2: 75 percent / 2 N NaOH, I₂, KI / ethanol / Ambient temperature; pH 9

With sodium hydroxide; iodine; potassium iodide; In ethanol;

DOI:10.1016/0223-5234(96)83976-6

Reference yield:

ibuprofen hydrazide (127222-69-9) → {5-[1-(4-Isobutyl-phenyl)-ethyl]-[1,3,4]oxadiazol-2-yl}-phenyl-amine (184706-24-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / ethanol / 0.5 h / Heating

2: 75 percent / 2 N NaOH, I₂, KI / ethanol / Ambient temperature; pH 9

With sodium hydroxide; iodine; potassium iodide; In ethanol;

DOI:10.1016/0223-5234(96)83976-6

upstream raw materials:

2-(2-(4-isobutylphenyl)propanoyl)-N-phenylhydrazine-1-carbothioamide

phenyl isothiocyanate

ibuprofen hydrazide