440051
1-(Chloromethyl)-1H-benzotriazole
98%
Synonym(s):
1-(Chloromethyl)benzotriazole
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About This Item
Empirical Formula (Hill Notation):
C7H6ClN3
CAS Number:
Molecular Weight:
167.60
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
Assay
98%
reaction suitability
reaction type: C-C Bond Formation
mp
136-139 °C (lit.)
functional group
chloro
SMILES string
ClCn1nnc2ccccc12
InChI
1S/C7H6ClN3/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2
InChI key
VSEROABGEVRIRY-UHFFFAOYSA-N
Application
1-(Chloromethyl)-1H-benzotriazole can be used as a reactant:
- In Gewald cyclocondensation reactions.
- To prepare N-(benzotriazol-1-ylmethyl) heterocycles by reacting with nitrogen heterocycles.
- To synthesize palladium complexes for applications in Heck and Suzuki-Miyaura C-C coupling reactions.
- In the synthesis of 2,3-disubstituted benzofurans by treating with o-hydroxyphenyl ketones.
Reactant for preparation of:
- Palladium complexes for applications in Heck coupling reactions
- Bacterial peptide deformylase (PDF) inhibitors
- Nonpeptide inhibitors of Human Mast Cell Chymase
- Reactant for Gewald cyclocondensation reactions
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Palladium and half sandwich ruthenium (II) complexes of selenated and tellurated benzotriazoles: synthesis, structural aspects and catalytic applications
D Dipanwita, et al.
Journal of Organometallic Chemistry, 695(7), 955-962 (2010)
Preparation, lithiation and transformation of N-(benzotriazol-1-ylmethyl) heterocycles
Katritzky AR, et al.
Journal of Heterocyclic Chemistry, 26(3), 829-836 (1989)
Modification of the Gewald methodology for the synthesis of 3-amino-2-(1H-1, 2, 3-benzotriazol-1-yl) substituted benzofurans, benzothiophenes and 1H-indoles
Radl, S, et al.
ARKIVOC (Gainesville, FL, United States), 15, 4-11 (2005)
Novel syntheses of 2, 3-disubstituted benzofurans
Katritzky AR, et al.
The Journal of Organic Chemistry, 66(16), 5613-5615 (2001)
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