CAS 94790-37-1

1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide

Description:

1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide, commonly referred to by its CAS number 94790-37-1, is a chemical compound that features a benzotriazole moiety, which is known for its applications in various fields, including organic synthesis and materials science. This compound is characterized by its unique structure that includes a bis(dimethylamino)methylene group, contributing to its reactivity and potential as a nucleophilic agent. The presence of the hexafluorophosphate anion indicates strong ionic interactions, which can enhance solubility in polar solvents. Additionally, the 3-oxide functional group may impart specific electronic properties, making it useful in photochemical applications. The compound is typically handled with care due to its potential toxicity and reactivity, and it is often used in controlled laboratory settings. Its applications may extend to areas such as catalysis, dye synthesis, and as a reagent in organic transformations, showcasing its versatility in chemical research and development.

Formula: C₁₁H₁₆N₅O·F₆P

InChI: InChI=1S/C11H16N5O.F6P/c1-13(2)11(14(3)4)15-9-7-5-6-8-10(9)16(17)12-15;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1

InChI key: InChIKey=BSKUEERROYGAFF-UHFFFAOYSA-N

SMILES: C(N(C)C)(N(C)C)=[N+]1C=2C(N(=O)=N1)=CC=CC2.[P+5]([F-])([F-])([F-])([F-])([F-])[F-]

Synonyms:

• 1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide
• 1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, 3-oxide, hexafluorophosphate(1-) (1:1)
• 1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, hexafluorophosphate(1-), 3-oxide
• 2-(1H-Benzotriazole-1-Yl)-1,1,3,3-Tetramethyluronium Hexafluorophosphate
• Hbtu
• N-Hbtu
• N-[(1H-benzotriazol-1-yloxy)(dimethylamino)methylidene]-N-methylmethanaminium hexafluorophosphate
• O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Hexafluorophosphate
• O-Benzotriazole-N,N,N',N'-tetramethyl-uronium-hexafluoro-phosphate
• O-Benzotriazole-N,N,N',N'-tetramethyl-uronium-hexafluorophosphate

HBTU [Coupling Reagent for Peptide]

CAS: 94790-37-1

Formula: C₁₁H₁₆F₆N₅OP

Purity: >98.0%(HPLC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 379.25

Ref: 3B-B1657

1-(Bis(dimethylamino)methylene)-1H-benzo[d][1,2,3]triazole-1-ium 3-oxide hexafluorophosphate(V), 98%

CAS: 94790-37-1

Formula: C11H16F6N5OP

Color and Shape: White - Almost white crystal - Powde

Molecular weight: 379.24

Ref: BD-BD23222

O-(Benzotriazol-1-yl)-N,N,N’,N’-tetramethyluronium hexafluorophosphate

CAS: 94790-37-1

Formula: C₁₁H₁₆F₆N₅OP

Purity: 99.0%

Color and Shape: Solid, Powder or Crystalline Powder or Solid

Molecular weight: 379.247

Ref: 10-F009019

O-(1H-Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate, 98%

CAS: 94790-37-1

O-(1H-Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate is used as a coupling reagent for solid-phase peptide synthesis. It has been shown to effectively suppress racemization. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. S

Formula: C₁₁H₁₆N₅O

Purity: 98%

Color and Shape: Crystalline powder, White to pale cream

Molecular weight: 234.28

Ref: 02-B23597

O-Benzotriazol-1-yl-N,N,N',N'-tetramethyluronium hexafluorophosphate

CAS: 94790-37-1

Formula: C₁₁H₁₆F₆N₅OP

Purity: 98%

Color and Shape: Solid

Molecular weight: 379.2418

Ref: IN-DA0035F7

HBTU

CAS: 94790-37-1

Formula: C₁₁H₁₆F₆N₅OP

Purity: ≥ 99.0%

Color and Shape: White to almost white powder or crystals

Molecular weight: 379.25

Ref: 7W-GE0864

O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate

CAS: 94790-37-1

O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate

Formula: C₁₁H₁₆N₅O·PF₆

Purity: ≥95%

Color and Shape: white crystals

Molecular weight: 379.24181g/mol

Ref: 54-PC6587

HBTU

CAS: 94790-37-1

HBTU is a common reagent used for peptide coupling, which can be employed for amide and ester formation. It is stable, highly reactive, suitable for solid phase and in-solution synthesis. The major advantages of HBTU are high yields, fast reaction times, easy reaction conditions, racemisation control and ease of purification from the water-soluble by-products. HBTU contains both the carbodiimide function and the benzotriazole one, activating the carboxylic acid and forming HOBt in situ. Although HBTU was originally catalogued as uronium salt, X-ray diffraction showed evidence for it to be an aminium salt instead.

Formula: C₁₁H₁₆F₆N₅OP

Purity: Min. 99 Area-%

Molecular weight: 379.24 g/mol

Ref: 3D-Z-1021

HBTU Reagent

CAS: 94790-37-1

HBTU is a reagent that is used in the synthesis of peptides. It has been shown to have inhibitory properties and stable complexes with ester linkages. HBTU has been shown to have a negative effect on congestive heart disease, which may be due to its ability to bind to receptors and mimic the effects of peptide hormones. This compound is also used as a model system for mitochondrial membrane potential. HBTU binds covalently to the peptide hormone receptor, which slows down the rate of degradation and increases its resistance to proteases. HBTU can also be used as an immunosuppressant drug in animal models of autoimmune diseases by inhibiting T-cell proliferation and cytokine production.

Formula: C₁₁H₁₆N₅OPF₆

Purity: Min. 95%

Molecular weight: 379.25 g/mol

Ref: 3D-KHB-1065-PI

HBTU

CAS: 94790-37-1

HBTU is a common reagent used for peptide coupling, which can be employed for amide and ester formation. It is stable, highly reactive, suitable for solid phase and in-solution synthesis. The major advantages of HBTU are high yields, fast reaction times, easy reaction conditions, racemisation control and ease of purification from the water-soluble by-products. HBTU contains both the carbodiimide function and the benzotriazole one, activating the carboxylic acid and forming HOBt in situ. Although HBTU was originally catalogued as uronium salt, X-ray diffraction showed evidence for it to be an aminium salt instead.

Formula: C₁₁H₁₆F₆N₅OP

Purity: Min. 99 Area-%

Color and Shape: White Powder

Molecular weight: 379.24 g/mol

Ref: 3D-FH07095

HBTU extrapure, 98%

CAS: 94790-37-1

Formula: C₁₁H₁₆F₆N₅OP

Purity: min. 98 %

Color and Shape: White, Crystalline powder

Molecular weight: 379.25

Ref: SR-44424

HBTU

CAS: 94790-37-1

Applications HBTU is a coupling reagent used in peptide synthesis. HBTU has been shown to effectively suppress racemization.
References Prasad, K.V.S.R.G. et al.: Int. J. Pharm. Sci. Rev. Res., 8, 108 (2011); Van Den Nest, W, et al.: J. Pep. Sci., 7, 115 (2001);

Formula: C₁₁H₁₆F₆N₅OP

Color and Shape: White To Off-White

Molecular weight: 379.24

Ref: TR-H107500