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Merck
CN

901723

Sigma-Aldrich

Methyl 2-(9-bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido[1,2,3-de]quinoxalin-5-yl)acetate

≥90%

别名:

Aryl halide chemistry informer library compound X1

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关于此项目

经验公式（希尔记法）:
C14H13BrN2O4
CAS Number:
150533-87-2
分子量:
353.17
MDL编号:
MFCD00920757
UNSPSC代码:
12352101
NACRES:
NA.22

主要文件

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方案

≥90%

表单

solid

官能团

bromo
ester

SMILES字符串

Brc1cc2c3c(c1)CCC(N3C(=O)C(=O)N2)CC(=O)OC

InChI key

DJBJHCWNSQGQQA-UHFFFAOYSA-N

相关类别

应用

This product is Informer compound X1 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.

其他说明

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

免责声明

Not fully tested

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

法规信息

新产品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Peter S Kutchukian et al.
Chemical science, 7(4), 2604-2613 (2016-04-21)
Major new advances in synthetic chemistry methods are typically reported using simple, non-standardized reaction substrates, and reaction failures are rarely documented. This makes the evaluation and choice of a synthetic method difficult. We report a standardized complex molecule diagnostic approach

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