1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-methylphenoxy)-1-methylethyl)-

Base Information

• Chemical Name: 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-methylphenoxy)-1-methylethyl)-
• CAS No.: 78613-27-1
• Molecular Formula: C₁₂H₁₄ClN₃O₂
• Molecular Weight: 267.715
• DSSTox Substance ID: DTXSID20229211
• Wikidata: Q83109422
• Mol file: 78613-27-1.mol

Synonyms:BRN 4473132;1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-methylphenoxy)-1-methylethyl)-;2-Amino-5-(alpha-(3'-methyl-4'-chlorophenoxy)isopropyl)-1,3,4-oxadiazole;5-(1-(4-Chloro-3-methylphenoxy)-1-methylethyl)-1,3,4-oxadiazol-2-amine;78613-27-1;DTXSID20229211;LS-99023

Chemical Property of 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-methylphenoxy)-1-methylethyl)-

Chemical Property:

• Vapor Pressure: 1.16E-07mmHg at 25°C
• Boiling Point: 431.9°Cat760mmHg
• Flash Point: 215°C
• Density: 1.288g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 267.0774544
• Heavy Atom Count: 18
• Complexity: 291

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OC(C)(C)C2=NN=C(O2)N)Cl

Technology Process of 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-methylphenoxy)-1-methylethyl)-

There total 3 articles about 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chloro-3-methylphenoxy)-1-methylethyl)- 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: 98.0%

bromocyane (506-68-3) + α-(3-methyl-4-chlorophenoxy) isobutyric acid hydrazide (78613-32-8) → 2-amino-5-<α-(3'-methyl-4'-chlorophenoxy) isopropyl>-1,3,4-oxadiazole (78613-27-1)

Guidance literature:

Reference yield:

4-Chloro-3-methylphenol (59-50-7) → 2-amino-5-<α-(3'-methyl-4'-chlorophenoxy) isopropyl>-1,3,4-oxadiazole (78613-27-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 92 percent / sodium hydroxide / Heating

2: 96 percent / hydrazine hydrate / ethanol / Heating

3: 98 percent

With sodium hydroxide; hydrazine hydrate; In ethanol;

Reference yield:

α-(3-methyl-4-chlorophenoxy)isobutyric acid (62443-89-4) → 2-amino-5-<α-(3'-methyl-4'-chlorophenoxy) isopropyl>-1,3,4-oxadiazole (78613-27-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / hydrazine hydrate / ethanol / Heating

2: 98 percent

With hydrazine hydrate; In ethanol;

upstream raw materials:

bromocyane

α-(3-methyl-4-chlorophenoxy) isobutyric acid hydrazide

4-Chloro-3-methylphenol

α-(3-methyl-4-chlorophenoxy)isobutyric acid