CN
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L511641

Sigma-Aldrich

5-Bromo-4-(trimethylsilyl)pyridin-3-yl trifluoromethanesulfonate

AldrichCPR

Empirical Formula (Hill Notation):
C9H11BrF3NO3SSi
Molecular Weight:
378.24
MDL number:
PubChem Substance ID:

Quality Level

SMILES string

BrC1=CN=CC(OS(=O)(C(F)(F)F)=O)=C1[Si](C)(C)C

InChI

1S/C9H11BrF3NO3SSi/c1-19(2,3)8-6(10)4-14-5-7(8)17-18(15,16)9(11,12)13/h4-5H,1-3H3

InChI key

DFTOVRWLXREECB-UHFFFAOYSA-N

Packaging

Each AldrichCPR product will be packaged in one consolidated unit unless you specify multiple units at the time of order.

Other Notes

Please note that Sigma-Aldrich provides this product to early discovery researchers as part of a collection of unique chemicals. Sigma-Aldrich does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final.

NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN SIGMA-ALDRICH′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN SIGMA-ALDRICH AND BUYER, SIGMA-ALDRICH SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY; (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE; OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY; WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE.

Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

6.1D - Non-combustible, acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis

Certificate of Origin

Paul H-Y Cheong et al.
Journal of the American Chemical Society, 132(4), 1267-1269 (2010-01-12)
Density functional theory computations reproduce the surprisingly high regioselectivities in nucleophilic additions and cycloadditions to 4,5-indolynes and the low regioselectivities in the reactions of 5,6-indolynes. Transition-state distortion energies control the regioselectivities, activating the 5 and 6 positions over the 4
Adam E Goetz et al.
Angewandte Chemie (International ed. in English), 51(11), 2758-2762 (2012-02-07)
Think before you act: a computational approach is reported for evaluating the synthetic potential of heterocyclic arynes. Routine and rapid calculations of arene dehydrogenation energies and aryne angle distortion predict the likelihood that a given hetaryne can be generated, as
Adam E Goetz et al.
Nature chemistry, 5(1), 54-60 (2012-12-19)
The pyridine heterocycle continues to play a vital role in the development of human medicines. More than 100 currently marketed drugs contain this privileged unit, which remains highly sought after synthetically. We report an efficient means to access di- and
G-Yoon J Im et al.
Journal of the American Chemical Society, 132(50), 17933-17944 (2010-12-01)
Efficient syntheses of 4,5-, 5,6-, and 6,7-indolyne precursors beginning from commercially available hydroxyindole derivatives are reported. The synthetic routes are versatile and allow access to indolyne precursors that remain unsubstituted on the pyrrole ring. Indolynes can be generated under mild
Sarah M Bronner et al.
Journal of the American Chemical Society, 133(11), 3832-3835 (2011-03-01)
We report the design and synthesis of an indolyne that displays a reversal in regioselectivity, in both nucleophilic addition and cycloaddition reactions, compared to typical 4,5-indolynes. Our approach utilizes simple computations to predict regioselectivity in reactions of unsymmetrical arynes. With

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