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文件

901729

Ethyl 4-(3-bromo-8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate

Name: Ethyl 4-(3-bromo-8-chloro-5,6-dihydro-11<I>H</I>-benzo[5,6]cyclohepta[1,2-<I>b</I>]pyridin-11-ylidene)piperidine-1-carboxylate
Brand: ALDRICH

别名:

Aryl halide chemistry informer library compound X6

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About This Item

经验公式（希尔记法）:

C₂₂H₂₂BrClN₂O₂

CAS号:

165740-12-5

分子量:

461.78

MDL號碼:

MFCD20260305

分類程式碼代碼:

12352101

NACRES:

NA.22

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1-Benzyl 2-methyl (2S,4R)-4-((4-bromoisoindoline-2-carbonyl)oxy)pyrrolidine-1,2-dicarboxylate

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5-Bromo-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide

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Benzyl (S)-2-(5-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate

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Sigma-Aldrich

901723

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

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Sigma-Aldrich

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

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901753

(S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one

形狀

powder

mp

355 °C

應用

This product is Informer compound X6 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 reactions′ 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

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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Synthesis of Complex Druglike Molecules by the Use of Highly Functionalized Bench-Stable Organozinc Reagents.

Thomas J Greshock et al.

Angewandte Chemie (International ed. in English), 55(44), 13714-13718 (2016-10-22)

The reactivity of a representative set of 17 organozinc pivalates with 18 polyfunctional druglike electrophiles (informers) in Negishi cross-coupling reactions was evaluated by high-throughput experimentation protocols. The high-fidelity scaleup of successful reactions in parallel enabled the isolation of sufficient material

Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods.

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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