N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3- benzotriazin-3-yl)uronium tetrafluoroborate - ≥98% , CAS No.125700-69-8

CAS: 125700-69-8 Cat. No.: T113348 Peso molecular: 349.09 Número EC: 675-206-2 PubChem CID: 10882602

GRADE & PURITY ≥98%

Synonyms

N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate | N,N,N,N-Tetramethyl-O-(3,4-Dihydro-4-Oxo-1,2,3-Benzotriazin-3-yl)Uronium Tetrafluoroborate | FT-0654427 | [dimethylamino-[(4-oxo-1,2,3-benzotriazin-3-yl)oxy]met

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

O-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N’,N’-tetramethyluronium tetrafluoroborate (2-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate, TBTU) may be used as coupling reagent in the synthesis of macrocyclic polyamine derivatives with various length of linkers, condensation reagent in the large-scale preparation of the hematoregulatory nonapeptide (Glp-Glu-Asp)2-DAS-(Lys)2 (2,SK&F 107647), coupling reagent for peptide synthesis which best suppresses racemization during fragment condensation.

Specifications

Sinónimos

N, N, N', N'-Tetramethyl-O-(3, 4-dihydro-4-oxo-1, 2, 3-benzotriazin-3-yl)uronium tetrafluoroborate | N, N, N, N-Tetramethyl-O-(3, 4-Dihydro-4-Oxo-1, 2, 3-Benzotriazin-3-yl)Uronium Tetrafluoroborate | FT-0654427 | [dimethylamino-[(4-oxo-1, 2, 3-benzotriazin-3-yl)oxy]met

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C(=O)C2=CC=CC=C2N=N1
• IUPAC Name: [dimethylamino-[(4-oxo-1,2,3-benzotriazin-3-yl)oxy]methylidene]-dimethylazanium;tetrafluoroborate
• InChIKey: FOBCPCIJLQTYBT-UHFFFAOYSA-N
• INCHI: 1S/C12H16N5O2.BF4/c1-15(2)12(16(3)4)19-17-11(18)9-7-5-6-8-10(9)13-14-17;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
• Isómeros SMILES: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C(=O)C2=CC=CC=C2N=N1
• WGK Alemania: 3
• PubChem CID: 10882602
• Peso molecular: 349.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzo-1,2,3-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzo-1,2,3-triazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,2,3-triazines
• Alternative Parents: Triazinones Benzenoids 1,2,3-triazines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Carboximidic acids and derivatives Carboximidamides Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,2,3-triazine - Triazinone - Triazine - Benzenoid - 1,2,3-triazine - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboximidic acid derivative - Hydrocarbon derivative - Organic salt - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzo-1,2,3-triazines. These are organic compounds containing a 1,2,3-triazine ring fused to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in acetonitrile: 0.1 g/mL, clear , Soluble in acetonitrile: 0.1 g/mL, clear；Soluble in acetonitrile 0.1 g/mL
• Sensibilidad: heat,light and Moisture sensitive
• Punto de fusión (°C): 145-149°C
• Peso molecular: 349.090 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 349.133 Da
• Monoisotopic Mass: 349.133 Da
• Topological Polar Surface Area: 60.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 420.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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