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

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

 EINECS 604-662-7
CAS No. 148893-10-1 Density N/A
PSA 72.67000 LogP 2.82700
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 N/A
Transport Information N/A Appearance White crystalline to off-white powder
Safety 26-37/39-36/37-36 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 148893-10-1 (HATU) Hazard Symbols IrritantXi,HarmfulXn
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;

Article Data 2

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

Molecular Formula: C10H15F6N6OP
Molecular Weight: 380.23 g/mol
Melting point: 183-188 °C (dec.)
Boiling Point: 176 °C at 760mmHg
storage temp. of 2-(7-Aza-1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate (CAS NO.148893-10-1): 2-8 °C
Appearance: White crystalline to off-white powder
Product Categories of 2-(7-Aza-1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate (CAS NO.148893-10-1): Peptide coupling agents;Pharmaceutical Intermediates;Amino Acid Derivatives;Coupling Reagent;protected amino acid & peptides;Peptide Coupling Reagents;Peptide
Following is the structure of 2-(7-Aza-1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate (CAS NO.148893-10-1): 
     

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

Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 36/37/38-20/21/22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-37/39-36/37-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection. 
S36/37:Wear suitable protective clothing and gloves. 
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 10-21

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

 2-(7-Aza-1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate , its cas register number is 148893-10-1. It also can be called o-(7-Azabenzotriazol-1-yl)-N,N,N',N'-te-tramethyluronium hexafluorophosphate ; 1H-1,2,3-Triazolo(4,5-b)pyridinium, 1-(bis(dimethylamino)methylene)-, hexafluorophosphate(1-), 3-oxide ; and HATU .

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