TBTU - ≥98% , CAS No.125700-67-6

CAS: 125700-67-6 Cat. No.: T109338 Molecular Weight: 321.08 Beilstein Registry Number: 7066325 EC Number: 423-040-4 PubChem CID: 2733207

GRADE & PURITY ≥98%

Synonyms

EN300-98707 | O-(1H-benzotriazol-1-yl)-N,N,N', N'-tetramethyluronium tetrafluoroborate | o-benzotriazol-l-yl-N,N,N',N'-tetramethyluronium tetrafluoroborate | 2-(1 H-benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate | 2413305-47-0 | O-(1H-ben

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Application：

O-(1H-Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate is used as used for solid-phase peptide synthesis. It is also used to study ten different phosphonium and uronium salt-based coupling reagents, which are used to synthesize four peptides.

Specifications

Synonyms

EN300-98707 | O-(1H-benzotriazol-1-yl)-N, N, N', N'-tetramethyluronium tetrafluoroborate | o-benzotriazol-l-yl-N, N, N', N'-tetramethyluronium tetrafluoroborate | 2-(1 H-benzotriazol-1-yl)-1, 1, 3, 3-tetramethyluronium tetrafluoroborate | 2413305-47-0 | O-(1H-ben

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1
• IUPAC Name: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;tetrafluoroborate
• InChIKey: JKEKMBGUVUKMQB-UHFFFAOYSA-N
• INCHI: 1S/C11H16N5O.BF4/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1
• WGK Germany: 3
• PubChem CID: 2733207
• UN Number: 1759
• Molecular Weight: 321.08
• Beilstein: 7066325
• Reaxy-Rn: 7066325

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzotriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzotriazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzotriazoles
• Alternative Parents: Benzenoids Triazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Carboximidic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzotriazole - Benzenoid - Azole - Triazole - 1,2,3-triazole - Heteroaromatic compound - Carboximidic acid derivative - Carboximidamide - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic metalloid salt - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organic salt - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
• 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

Chemical and Physical Properties

• Solubility: Soluble in acetonitrile (100 mg/ml, clear, colorless), DMF (160.55 mg/ml, clear), and water (3 mg/ml at 20°C).
• Sensitivity: Moisture ＆light sensitive
• Melt Point(°C): 200-205°C
• Molecular Weight: 321.080 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 321.138 Da
• Monoisotopic Mass: 321.138 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 306.000
• 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

XLogP3

References

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