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| CAS No.: | 94790-37-1 |
|---|---|
| Name: | HBTU |
| Molecular Structure: | |
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|
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| Formula: | C11H16N5O.PF6 |
| Molecular Weight: | 379.245 |
| Synonyms: | o-Benzotriazol-1-yl-N,N,N',N'-tetramethyluronium hexafluorophosphate;o-Benzotriazol-1-yl-tetramethyluronium hexafluorophosphate;HBTU; |
| EINECS: | 423-020-5 |
| Melting Point: | 200- 202 °C |
| Flash Point: | 200°C |
| Solubility: | acetonitrile: 0.1 g/mL, clear |
| Appearance: | white to light yellow powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36/37/39 |
| PSA: | 59.78000 |
| LogP: | 3.43200 |
benzotriazol-1-ol
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane | 100% |
N,N,N',N'-tetramethylchlorformamidinium chloride
1-Hydroxy-1,2,3-benzotriazole potassium salt
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With potassium hexafluorophosphate; potassium chloride |
tetramethylurea
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: phosgene / toluene / 0.25 h 2: aq. ammonium hexafluorophosphate / CH2Cl2 3: 100 percent / N(C2H5)3 / CH2Cl2 View Scheme | |
| Multi-step reaction with 2 steps 1: oxalyl chloride 2: KPF6,KCl View Scheme |
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
| Conditions | Yield |
|---|---|
| Stage #1: C11H13N2O2Pol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 0.166667h; 2-chlorotrityl chloride resin; Stage #2: With trifluoroacetic acid In dichloromethane | 100% |
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With triethylamine In N,N-dimethyl-formamide at 20℃; | 100% |
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With triethylamine In N,N-dimethyl-formamide at 20℃; | 98% |
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With triethylamine In N,N-dimethyl-formamide at 20℃; | 96% |
2-Nitrobenzenesulfonamide
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; | 95% |
N-benzoyl-p-toluenesulfonimidamide
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; | 95% |
sulindac sulfide
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
(Z)-N-(2-(dimethylamino)ethyl)-2-(5-fluoro-2-methyl-1-(4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetamide
| Conditions | Yield |
|---|---|
| With (4-aminomethylphenyl)dimethylamine In N,N-dimethyl-formamide at 0 - 20℃; | 94% |
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The 2-(1H-Benzotriazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate, with the CAS registry number 94790-37-1, is also known as o-Benzotriazol-1-yl-N,N,N',N'-tetramethyluronium hexafluorophosphate. It belongs to the product categories of Peptide Coupling Agents; Amino Acid Derivatives; Starting Raw Materials & Intermediates; Protected Amino Acid & Peptides; Peptide Coupling Reagents; Biochemistry; Condensation & Active Esterification; Coupling Reactions (Peptide Synthesis); Peptide Synthesis; Synthetic Organic Chemistry; Peptide. Its EINECS registry number is 423-020-5. Its systematic name is called [benzotriazol-1-yloxy(dimethylamino)methylene]-dimethyl-ammonium hexafluorophosphate. The product should be sealed and stored in cool, dry place at temperature of 2-8 °C . What's more, it should be protected from strong oxides.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)C(=[N+](C)C)On1c2ccccc2nn1.F[P-](F)(F)(F)(F)F
(2)InChI: InChI=1/C11H16N5O.F6P/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1
(3)InChIKey: UQYZFNUUOSSNKT-UHFFFAOYAE
