N,N-dimethyl-4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]aniline

Base Information

• Chemical Name: N,N-dimethyl-4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]aniline
• CAS No.: 38248-52-1
• Molecular Formula: C11H13N5
• Molecular Weight: 215.258
• European Community (EC) Number: 651-198-6
• NSC Number: 59383
• ChEMBL ID: CHEMBL3356206
• Mol file: 38248-52-1.mol

Synonyms:38248-52-1;N,N-dimethyl-4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]aniline;NSC59383;CHEMBL3356206;NSC-59383;STK422197;AKOS003236494;AKOS003744434;AKOS005434009;SR-01000319630;SR-01000319630-1;N-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-1,2,4-triazol-5-amine

Chemical Property of N,N-dimethyl-4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]aniline

Chemical Property:

• Vapor Pressure: 1.58E-07mmHg at 25°C
• Boiling Point: 427.9°Cat760mmHg
• Flash Point: 212.6°C
• Density: 1.19g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.11709544
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C=NC2=NC=NN2
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)/C=N/C2=NC=NN2

Technology Process of N,N-dimethyl-4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]aniline

There total 6 articles about N,N-dimethyl-4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]aniline 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: 85.0%

3(5)-amino-1,2,4-triazole (61-82-5) + 4-dimethylamino-benzaldehyde (100-10-7) → N-[4'-(dimethylamino)phenyl]methylidene-4H-1,2,4-triazol-3-amine (38248-52-1)

Guidance literature:

With piperidine; In isopropyl alcohol; for 10h; Reflux;

Reference yield: 75.0%

3(5)-amino-1,2,4-triazole (61-82-5) + 4-dimethylamino-benzaldehyde (100-10-7) → (4-dimethylaminobenzylidene)(1H-1,2,4-triazol-3-yl)amine (38248-52-1)

Guidance literature:

With acetic acid; In ethanol; Reflux;

DOI:10.1007/s13738-018-1433-9

Reference yield: 51.0%

4H-1,2,4-triazol-3-amine (61-82-5,155-25-9,64598-23-8,65312-61-0,6051-75-8) + 4-dimethylamino-benzaldehyde (100-10-7) → N-[4'-(dimethylamino)phenyl]methylidene-4H-1,2,4-triazol-3-amine (38248-52-1)

Guidance literature:

With sulfuric acid; In ethanol; Reflux;

DOI:10.1016/j.bmc.2014.08.032

upstream raw materials:

3⁽⁵⁾-amino-1,2,4-triazole

4-dimethylamino-benzaldehyde

3-amino-1,2,4-triazole

4H-1,2,4-triazol-3-amine

Downstream raw materials:

C₁₂H₁₅N₅O₂S

(4-Dimethylamino-phenyl)-[(2H-[1,2,4]triazol-3-ylamino)]-acetonitrile

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