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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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About This Item

经验公式（希尔记法）:
C14H13BrN2O4
CAS号:
150533-87-2
分子量:
353.17
MDL號碼:
MFCD00920757
分類程式碼代碼:
12352101
NACRES:
NA.22

化驗

≥90%

形狀

solid

官能基

bromo
ester

SMILES 字串

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

InChI 密鑰

DJBJHCWNSQGQQA-UHFFFAOYSA-N

相关类别

應用

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

其他說明

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

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儲存類別代碼

11 - Combustible Solids

水污染物質分類（WGK）

WGK 3

閃點（°F）

Not applicable

閃點（°C）

Not applicable

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分析证书(COA)

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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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