Methanaminium,N-[(dimethylamino)[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)oxy]methylene]-N-methyl-, tetrafluoroborate(1-)


Chemical Name: Methanaminium,N-[(dimethylamino)[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)oxy]methylene]-N-methyl-, tetrafluoroborate(1-)
CAS Number: 125700-69-8
Product Number: AG000OHZ(AGN-PC-0PI3T6)
Synonyms:
MDL No:
Molecular Formula: C12H16BF4N5O2
Molecular Weight: 349.0924

Identification/Properties


Properties
MP:
147 °C (dec.)
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Moisture & Light Sensitive
Solubility:
acetonitrile: 0.1 g/mL, clear
Computed Properties
Molecular Weight:
349.097g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
3
Exact Mass:
349.133g/mol
Monoisotopic Mass:
349.133g/mol
Topological Polar Surface Area:
60.5A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
420
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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Chemical Structure



In chemical synthesis, TDBTU (2-(1H-Benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate) is a highly efficient coupling reagent commonly used in peptide synthesis and other chemical reactions. This versatile reagent is utilized for the activation of carboxylic acids in the presence of amines to form amide bonds. TDBTU is known for its fast reaction rates, high yields, and compatibility with a wide range of functional groups. Its mild reaction conditions make it a preferred choice for the synthesis of complex peptides and other bioactive compounds. Additionally, TDBTU exhibits excellent solubility in common organic solvents, simplifying reaction setups and workup procedures. Overall, TDBTU is a valuable tool in organic chemistry for the efficient formation of amide bonds in various synthetic applications.