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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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100 MG
$221.00

$221.00

预计发货时间2025年11月05日详情

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100 MG
$221.00

About This Item

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

$221.00

预计发货时间2025年11月05日详情

获取大包装报价

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.

注意

Not fully tested

其他说明

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

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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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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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