Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine

Base Information

• Chemical Name: Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine
• CAS No.: 510758-28-8
• Molecular Formula: C₃₀H₃₀N₁₀
• Molecular Weight: 530.635
• Hs Code.: 2933998090
• European Community (EC) Number: 693-028-3
• UNII: TC4DSF6TA2
• DSSTox Substance ID: DTXSID20458589
• Nikkaji Number: J1.886.921G
• Wikipedia: Tris(benzyltriazolylmethyl)amine
• Wikidata: Q2356813
• Mol file: 510758-28-8.mol

Synonyms:510758-28-8;Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine;tris((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)amine;tris(benzyltriazolylmethyl)amine;Tris-(Benzyltriazolylmethyl)amine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;MFCD09265124;TC4DSF6TA2;N,N,N-Tris((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)amine;1-(1-Benzyltriazol-4-yl)-N,N-bis((1-benzyltriazol-4-yl)methyl)methanamine;1-(1-Benzyl-1H-1,2,3-triazol-4-yl)-N,N-bis((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)methanamine;1-(Phenylmethyl)-N,N-bis((1-(phenylmethyl)-1H-1,2,3-triazol-4-yl)methyl)-1H-1,2,3-triazole-4-methanamine;1H-1,2,3-Triazole-4-methanamine, 1-(phenylmethyl)-N,N-bis((1-(phenylmethyl)-1H-1,2,3-triazol-4-yl)methyl)-;1-(1-benzyl-1H-1,2,3-triazol-4-yl)-N,N-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]methanamine;UNII-TC4DSF6TA2;YSWG275;SCHEMBL230368;DTXSID20458589;WKGZJBVXZWCZQC-UHFFFAOYSA-N;BBL103683;C30H30N10;STL557493;AKOS025213345;GS-5454;BP-26134;SY044980;HY-116677;CS-0066254;FT-0750672;T2993;A901570;Q2356813;Tris(1-benzyl-1H-1,2,3-triazole-4-ylmethyl)amine;Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine];Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine, 97%

Chemical Property of Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine

Chemical Property:

• Melting Point: 132-143℃
• Boiling Point: 762.4±70.0 °C(Predicted)
• PKA: 2.44±0.50(Predicted)
• PSA: 95.37000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 3.80840
• Storage Temp.: ?20°C
• Solubility.: Soluble in DMSO, DMF.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 530.26549100
• Heavy Atom Count: 40
• Complexity: 628

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tris-(benzyltriazolylmethyl)amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=C(N=N2)CN(CC3=CN(N=N3)CC4=CC=CC=C4)CC5=CN(N=N5)CC6=CC=CC=C6
• Description: TBTA was introduced shortly after the copper-catalyzed azide-alkyne cycloaddition reaction was discovered to mitigate thermodynamic instability of Cu(I) in aerobic media. TBTA is a water-insoluble ligand and must be first dissolved in DMSO or DMF. J Am Chem Soc., 143 (18), 6787-6791. T. R. Chan, R. Hilgraf, K. B. Sharpless, V. V. Fokin, Org. Lett. 2004, 6, 2853.
• Uses: Tris-(benzyltriazolylmethyl)amine is a useful reagent for copper (I) catalyzed azide-alkyne cycloadditions.?It can also be used for postsynthetic labelling of alkyne-modified DNA.