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ALD00400

Sigma-Aldrich

2-Chloro-6-iodobenzoic acid

95%

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About This Item

Empirical Formula (Hill Notation):
C7H4ClIO2
CAS Number:
13420-63-8
Molecular Weight:
282.46
MDL number:
MFCD06808823
UNSPSC Code:
12352100
PubChem Substance ID:
329772665
NACRES:
NA.22

Quality Level

100

Assay

95%

form

solid

reaction suitability

reagent type: ligand
reaction type: C-H Activation

SMILES string

OC(C1=C(Cl)C=CC=C1I)=O

InChI

1S/C7H4ClIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

InChI key

KNWHWEKCHWFXFZ-UHFFFAOYSA-N

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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.

Other Notes

Iodination Method Eases Route To Radiolabeled Drugs

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301,H319

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2

Storage Class Code

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

Certificates of Analysis (COA)

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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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