Key Documents

901749

(R)-5-((1H-1,2,3-Triazol-1-yl)methyl)-3-(3-fluoro-4-iodophenyl)oxazolidin-2-one

Name: (<I>R</I>)-5-((1<I>H</I>-1,2,3-Triazol-1-yl)methyl)-3-(3-fluoro-4-iodophenyl)oxazolidin-2-one
Brand: ALDRICH

Synonym(s):

Aryl halide chemistry informer library compound X14

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About This Item

Empirical Formula (Hill Notation):

C₁₂H₁₀FIN₄O₂

CAS Number:

501939-95-3

Molecular Weight:

388.14

MDL number:

MFCD00920757

NACRES:

NA.22

UNSPSC Code:

12352101

Form:

powder or crystals

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Properties

form

powder or crystals

mp

195-200 °C (w/ decomp.)

Description

Application

This product is Informer compound X14 of the Aryl halide chemistry informer library developed by chemists at Merck & Co., Inc., Kenilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the informer library, chemists can directly compare and analyze a reactions′s successes and shortcomings among different methods and various research teams. It may also be used to facilitate deeper method development for performance or utility.

Other Notes

Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613

Nanomole-scale high-throughput chemistry for the synthesis of complex molecules

Aryl amination using ligand-free Ni(II) salts and photoredox catalysis

Disclaimer

Not fully tested.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Nanomole-scale high-throughput chemistry for the synthesis of complex molecules.

Buitrago Santanilla, et al.

Science, 347, 49-53 (2015)

Aryl amination using ligand-free Ni(II) salts and photoredox catalysis.

Emily B Corcoran et al.

Science (New York, N.Y.), 353(6296), 279-283 (2016-06-25)

Over the past two decades, there have been major developments in transition metal-catalyzed aminations of aryl halides to form anilines, a common structure found in drug agents, natural product isolates, and fine chemicals. Many of these approaches have enabled highly

Organic chemistry. Nanomole-scale high-throughput chemistry for the synthesis of complex molecules.

Alexander Buitrago Santanilla et al.

Science (New York, N.Y.), 347(6217), 49-53 (2015-01-03)

At the forefront of new synthetic endeavors, such as drug discovery or natural product synthesis, large quantities of material are rarely available and timelines are tight. A miniaturized automation platform enabling high-throughput experimentation for synthetic route scouting to identify conditions

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Global Trade Item Number

SKU	GTIN
901749-100MG	04061835496594