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Merck
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Key Documents

Inne dokumenty

901778

Sigma-Aldrich

Ethyl 8-bromo-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate

Synonim(y):

Aryl halide chemistry informer library compound X2

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About This Item

Wzór empiryczny (zapis Hilla):
C15H14BrN3O3
Numer CAS:
78756-37-3
Masa cząsteczkowa:
364.19
Numer MDL:
MFCD12911997
Kod UNSPSC:
12352101
NACRES:
NA.22

Postać

powder or crystals

mp

190-193 °C

ciąg SMILES

BrC1=CC=C2C(C(N(C)CC3=C(C(OCC)=O)N=CN32)=O)=C1

InChI

1S/C15H14BrN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3

Klucz InChI

NFMFVESVKLVYJR-UHFFFAOYSA-N

Zastosowanie

This product is Informer compound X2 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 analyze a reactions′s successes and shortcomings among different methods and various research teams. It may also be used to faciliate deeper method development for performance or utlity.

Przestroga

Not Fully Tested.

Inne uwagi

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
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Kod klasy składowania

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Klasa zagrożenia wodnego (WGK)

WGK 3

Temperatura zapłonu (°C)

Not applicable

Certyfikaty analizy (CoA)

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Dokumenty związane z niedawno zakupionymi produktami zostały zamieszczone w Bibliotece dokumentów.

Odwiedź Bibliotekę dokumentów

Emily B Corcoran et al.
Science (New York, N.Y.), 353(6296), 279-283 (2016-06-25)
Over the past two decades, there have been major developments in transition metal-catalyzed aminations of aryl halides to form anilines, a common structure found in drug agents, natural product isolates, and fine chemicals. Many of these approaches have enabled highly
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
Peter S Kutchukian et al.
Chemical science, 7(4), 2604-2613 (2016-04-21)
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