表单
powder or crystals
mp
189-194 °C
官能团
bromo
ester
sulfone
SMILES字符串
[S](=O)(=O)(C)c1ccc(cc1)C2=C(C(=O)OC2(C)C)Oc3ncc(cc3)Br
InChI
1S/C18H16BrNO5S/c1-18(2)15(11-4-7-13(8-5-11)26(3,22)23)16(17(21)25-18)24-14-9-6-12(19)10-20-14/h4-10H,1-3H3
InChI key
XCNHDBDVIVAJHX-UHFFFAOYSA-N
应用
This product is Informer compound X3 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 analyse a reaction′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.
注意
Not Fully Tested.
其他说明
1.Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613.
2.Synthesis of Complex Druglike Molecules by the Use of Highly Functionalized Bench-Stable Organozinc Reagents
3.Aryl amination using ligand-free Ni(II) salts and photoredox catalysis.
2.Synthesis of Complex Druglike Molecules by the Use of Highly Functionalized Bench-Stable Organozinc Reagents
3.Aryl amination using ligand-free Ni(II) salts and photoredox catalysis.
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
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