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Basic Information

Molecular Structure:
CAS No.:	148893-10-1
Name:	HATU
Article Data:	2

Formula:	C₁₀H₁₅F₆N₆OP
Molecular Weight:	380.233
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;
EINECS:	604-662-7
Melting Point:	183-185 °C
Boiling Point:	176 °C at 760mmHg
Solubility:	Soluble in acetonitrile. Insoluble in water.
Appearance:	White crystalline to off-white powder
Hazard Symbols:	Xi,Xn
Risk Codes:	36/37/38-20/21/22
Safety:	26-37/39-36/37-36
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%

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Chemistry

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):

Safety Profile

Hazard Codes: Irritant Xi, Harmful Xn
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

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 .