• Name

  HATU

• EINECS 604-662-7
• CAS No. 148893-10-1
• Article Data2
• CAS DataBase
• Density
• Solubility Soluble in acetonitrile. Insoluble in water.
• Melting Point 183-185 °C
• Formula C₁₀H₁₅F₆N₆OP
• Boiling Point 176 °C at 760mmHg
• Molecular Weight 380.233
• Flash Point
• Transport Information
• Appearance White crystalline to off-white powder
• Safety 26-37/39-36/37-36
• Risk Codes 36/37/38-20/21/22
• Molecular Structure
• Hazard Symbols Xi,Xn
• Synonyms O-(7-Azabenzotriazol-1-yl)-N,N,N',N'-tetramethyl-uronium hexafluorophosphat;2-(7-Aza-1H-Benzotriazole-1-yl)-1,1,3,3-TetramethyluroniumHexafluorophosphate;1H-1,2,3-Triazolo[4,5-b]pyridinium,1-[bis- (dimethylamino)methylene]-,hexafluorophosphate( 1-),3-oxide;
• PSA 72.67000
• LogP 2.82700

Synthetic route

55-22-1

pyridine-4-carboxylic acid

C108H81Fe2N15(4+)*4C2F6NO4S2(1-)

148893-10-1

N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate

C126H90Fe2N18O3(4+)*4F6P(1-)

Conditions

Conditions	Yield
Stage #1: pyridine-4-carboxylic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 3.25h; Sealed tube; Inert atmosphere; Stage #2: C108H81Fe2N15(4+)*4C2F6NO4S2(1-) In acetonitrile at 20℃; for 72h;	96%

...Expand

619-73-8

4-nitrobenzyl chloride

148893-10-1

N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate

353262-26-7

3-((4-nitrobenzyl)oxy)-3H-[1,2,3]triazole[4,5-b]pyridine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane Reflux;	95%

C16H20O6

148893-10-1

N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate

C21H22N4O6

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.5h; Darkness; Inert atmosphere;	95%

4-chloro-2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-1,2,2’,3’,5’,6’-hexahydrospiro[indole-3,4’-thiopyran]-5-carboxylic acid 1‘,1‘-dioxide

148893-10-1

N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate

4-chloro-2-cyclopropyl-1-[(4-fluorophenyl)sulfonyl]-5-[(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)carbonyl]-1,2,2’,3’,5’,6’-hexahydrospiro[indole-3,4’-thiopyran]-1‘,1‘-dioxide

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 20℃;	91%

148893-10-1

N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate

634-97-9

pyrrole-2-carboxyl acid

3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl 1H-pyrrole-2-carboxylate

Conditions

Conditions	Yield
With triethylamine In acetonitrile at -30℃; for 1.5h; Inert atmosphere; Schlenk technique;	90%

carboxy MIDA boronate

148893-10-1

N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate

C10H10BN5O5

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In [D3]acetonitrile at 20℃;	90%

2-(7-Aza-1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate Chemical Properties

2-(7-Aza-1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate Safety Profile

2-(7-Aza-1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate Specification