N-[(1E)-(4-isopropylphenyl)methylene]-4H-1,2,4-triazol-4-amine

Base Information

• Chemical Name: N-[(1E)-(4-isopropylphenyl)methylene]-4H-1,2,4-triazol-4-amine
• CAS No.: 32787-77-2
• Molecular Formula: C₁₂H₁₄N₄
• Molecular Weight: 214.27
• European Community (EC) Number: 660-605-6
• DSSTox Substance ID: DTXSID901321020
• ChEMBL ID: CHEMBL3208889

Synonyms:32787-77-2;MLS000769954;CHEMBL3208889;DTXSID901321020;CCG-8806;STK020734;AKOS001429029;SMR000434681;BIM-0020949.P001;(E)-1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine;N-[(1E)-(4-isopropylphenyl)methylene]-4H-1,2,4-triazol-4-amine;[1-(4-Isopropyl-phenyl)-meth-(E)-ylidene]-[1,2,4]triazol-4-yl-amine;N-{(E)-[4-(propan-2-yl)phenyl]methylidene}-4H-1,2,4-triazol-4-amine

Chemical Property of N-[(1E)-(4-isopropylphenyl)methylene]-4H-1,2,4-triazol-4-amine

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.121846464
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)C=NN2C=NN=C2
• Isomeric SMILES: CC(C)C1=CC=C(C=C1)/C=N/N2C=NN=C2

Technology Process of N-[(1E)-(4-isopropylphenyl)methylene]-4H-1,2,4-triazol-4-amine

There total 3 articles about N-[(1E)-(4-isopropylphenyl)methylene]-4H-1,2,4-triazol-4-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%

4-amino-1,2,4-triazole (584-13-4) + (4-isopropylbenzaldehyde) (122-03-2) → N-(4-isopropylbenzylidene)-4H-1,2,4-triazol-4-amine (32787-77-2)

Guidance literature:

With acetic acid; In ethanol; for 4h; Reflux;

DOI:10.1080/00304948.2020.1871574

Reference yield:

→ N-(4-isopropylbenzylidene)-4H-1,2,4-triazol-4-amine (32787-77-2)

Guidance literature:

4-Amino-1,2,4-triazol, p-Isopropyl-benzaldehyd, p-Toluolsulfonsaeure;

DOI:10.1016/0040-4020(68)88053-6

Reference yield:

→ (4-isopropyl-benzylidene)-[1,2,4]triazol-4-yl-amine (32787-77-2)

Guidance literature:

4-Amino-1,2,4(4H)-triazol, p-Isopropylbenzaldehyd, konz. HCl;

DOI:10.1007/BF00471499

upstream raw materials:

4-amino-1,2,4-triazole

(4-isopropylbenzaldehyde)

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