[3-(1H-1,2,4-Triazol-1-yl)phenyl]methylamine

Base Information

• Chemical Name: [3-(1H-1,2,4-Triazol-1-yl)phenyl]methylamine
• CAS No.: 741717-66-8
• Molecular Formula: C9H10 N4
• Molecular Weight: 174.205
• Hs Code.: 2933998090
• European Community (EC) Number: 959-525-7
• DSSTox Substance ID: DTXSID70464019
• Wikidata: Q82289186
• Mol file: 741717-66-8.mol

Synonyms:[3-(1H-1,2,4-Triazol-1-yl)phenyl]methylamine;741717-66-8;[3-(1,2,4-triazol-1-yl)phenyl]methanamine;(3-(1H-1,2,4-triazol-1-yl)phenyl)methanamine;3-[1,2,4]Triazol-1-yl-benzylamine;[3-(1H-1,2,4-triazol-1-yl)phenyl]methanamine;SCHEMBL1020541;DTXSID70464019;JIGZDQMQHNQJOM-UHFFFAOYSA-N;MFCD08271898;AKOS013153645;AS-40262;CS-0455435;FT-0712960;EN300-80327;J-501065

Chemical Property of [3-(1H-1,2,4-Triazol-1-yl)phenyl]methylamine

Chemical Property:

• Vapor Pressure: 7.24E-06mmHg at 25°C
• Boiling Point: 140 °C
• Flash Point: 181.5°C
• PSA: 56.73000
• Density: 1.26g/cm³
• LogP: 1.42630
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 174.090546336
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98%Min ^*data from raw suppliers

[3-(1H-1,2,4-Triazol-1-yl)phenyl]methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N2C=NC=N2)CN

Technology Process of [3-(1H-1,2,4-Triazol-1-yl)phenyl]methylamine

There total 1 articles about [3-(1H-1,2,4-Triazol-1-yl)phenyl]methylamine 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: 79.0%

1,2,4-Triazole (288-88-0) + 3-iodobenzylamine (696-40-2) → 1-(3'-aminomethylphenyl)-2,4-triazole (741717-66-8)

Guidance literature:

With potassium phosphate; copper(l) iodide; N,N`-dimethylethylenediamine; In N,N-dimethyl-formamide; at 110 ℃; for 24h;

DOI:10.1021/jo049658b

Reference yield: 60.0%

1-(3'-aminomethylphenyl)-2,4-triazole (741717-66-8) + [2-chloro-6-(4-fluoro-phenyl)-pyrido[3,2-d]pyrimidin-4-yl]-(2,2,2-trifluoro-ethyl)-amine (1036738-16-5) → 6-(4-fluoro-phenyl)-N2-(3-[1,2,4]triazol-1-yl-benzyl)-N4-(2,2,2-trifluoro-ethyl)-pyrido[3,2-d]pyrimidine-2,4-diamine (1203652-00-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 160 ℃; for 1h; microwave;

Reference yield:

1-(3'-aminomethylphenyl)-2,4-triazole (741717-66-8) + 6-bromo-4-chlorophthalazin-1(2H)-one (1028338-59-1) → 4-chloro-6-(3-[1,2,4]triazol-1-yl-benzylamino)-2H-phthalazin-1-one (1028337-54-3)

Guidance literature:

With sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In ISOPROPYLAMIDE; at 85 ℃; for 0.75h;

upstream raw materials:

1,2,4-Triazole

3-iodobenzylamine

Downstream raw materials:

4-chloro-6-(3-[1,2,4]triazol-1-yl-benzylamino)-2H-phthalazin-1-one

C₁₄H₂₀N₄

C₂₅H₃₂N₈O

C₂₆H₃₄N₈O

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