Key Documents

901781

tert-Butyl (S,Z)-(4-(4-bromothiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-ylidene)carbamate

Name: tert-Butyl (S,Z)-(4-(4-bromothiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-ylidene)carbamate
Brand: ALDRICH

Synonym(s):

Aryl halide chemistry informer library compound X13

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About This Item

Empirical Formula (Hill Notation):

C₁₅H₂₀BrN₃O₃S

CAS Number:

917471-29-5

Molecular Weight:

402.31

MDL number:

MFCD07779144

NACRES:

NA.22

UNSPSC Code:

12352101

Form:

powder or crystals

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Properties

form

powder or crystals

mp

98-105 °C

Description

Application

This product is Informer compound X13 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 faciliate deeper method development for performance or utlity.

Other Notes

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

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

3. 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

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