ALD00400
2-Chloro-6-iodobenzoic acid
95%
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About This Item
Empirical Formula (Hill Notation):
C7H4ClIO2
CAS Number:
Molecular Weight:
282.46
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
2-Chloro-6-iodobenzoic acid, 95%
InChI
1S/C7H4ClIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
SMILES string
OC(C1=C(Cl)C=CC=C1I)=O
InChI key
KNWHWEKCHWFXFZ-UHFFFAOYSA-N
assay
95%
form
solid
reaction suitability
reagent type: ligand
reaction type: C-H Activation
Quality Level
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Application
The following building block was synthesized via a C-H activation method developed by Yu and coworkers. The method was incorporated using the Yu-Wasa Auxiliary (Aldrich 791806) and I2 as the sole oxidant for ortho-iodination from the corresponding benzoic acid derivative.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Eye Irrit. 2
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Xiao-Chen Wang et al.
Journal of the American Chemical Society, 135(28), 10326-10329 (2013-07-11)
Pd-catalyzed ortho-C-H iodination directed by a weakly coordinating amide auxiliary using I2 as the sole oxidant was developed. This reaction is compatible with a wide range of heterocycles including pyridines, imidazoles, oxazoles, thiazoles, isoxazoles, and pyrazoles.
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