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Merck
CN

440051

Sigma-Aldrich

1-(氯甲基)-1H-苯并三唑

98%

别名:

1-(Chloromethyl)benzotriazole

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About This Item

经验公式(希尔记法):
C7H6ClN3
CAS号:
分子量:
167.60
MDL编号:
UNSPSC代码:
12352005
PubChem化学物质编号:
NACRES:
NA.22

检测方案

98%

反应适用性

reaction type: C-C Bond Formation

mp

136-139 °C (lit.)

SMILES字符串

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

应用

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

象形图

Corrosion

警示用语:

Danger

危险声明

危险分类

Eye Dam. 1 - Skin Corr. 1B

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

法规信息

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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)
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)
Preparation, lithiation and transformation of N-(benzotriazol-1-ylmethyl) heterocycles
Katritzky AR, et al.
Journal of Heterocyclic Chemistry, 26(3), 829-836 (1989)
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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