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CAS RN: 117632-84-5 | Product Number: T3167

1-(Trifluoromethanesulfonyl)-1H-benzotriazole


Purity: >98.0%(HPLC)
Synonyms:
Product Documents:
1G
$156.00
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5G
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Product Number T3167
Purity / Analysis Method >98.0%(HPLC)
Molecular Formula / Molecular Weight C__7H__4F__3N__3O__2S = 251.18 
Physical State (20 deg.C) Solid
Storage Temperature Refrigerated (0-10°C)
Store Under Inert Gas Store under inert gas
Condition to Avoid Light Sensitive,Moisture Sensitive,Heat Sensitive
CAS RN 117632-84-5
Reaxys Registry Number 6516256
PubChem Substance ID 354334013
MDL Number

MFCD00963686

Specifications
Appearance White to Light yellow to Light orange powder to crystal
Purity(HPLC) min. 98.0 area%
Melting point 36.0 to 40.0 °C
NMR confirm to structure
Properties (reference)
Melting Point 38 °C
Flash point 142 °C
Solubility (soluble in) Toluene
GHS
Pictogram Pictogram
Signal Word Warning
Hazard Statements H315 : Causes skin irritation.
H319 : Causes serious eye irritation.
Precautionary Statements P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ eye protection/ face protection.
P337 + P313 : If eye irritation persists: Get medical advice/ attention.
P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.
P332 + P313 : If skin irritation occurs: Get medical advice/ attention.
P362 : Take off contaminated clothing and wash before reuse.
Related Laws:
Transport Information:
HS Number 2933.99.7900
Application
Denitrogenative Suzuki-Miyaura Cross-coupling Reactions of benzotriazoles

T3167

Experimental procedure: A flask is sequentially charged with 1-(trifluoromethanesulfonyl)-1H-benzotriazole (0.30 mmol, 1.0 eq.), phenyl/vinylboronic acid (0.45 mmol, 1.5 eq.), Pd(OAc)2 (3.3 mg, 0.015 mmol, 0.05 eq.), PPh3 (24 mg, 0.09 mmol, 0.3 eq.) and AgBF4 (145 mg, 0.75 mmol, 2.5 eq.) at N2 atmosphere. The reaction is added freshly distilled toluene (3 mL) and then placed in an oil bath preheated to 80 °C. The resulting solution is heated at this temperature for 3-8 hours before being cooled to room temperature and concentrated in vacuo. The residue is directly purified by flash chromatography (SiO2, hexanes/EtOAc) to give the corresponding product.

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