Merck
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KITALYSIS-CN

Sigma-Aldrich

KitAlysis™ High-Throughput Buchwald-Hartwig Amination Reaction Screening Kit-Pack of 4

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Synonym(s):
Amination Screening Kit, Buchwald-Hartwig Amination
NACRES:
NA.22

reaction suitability

core: palladium
reaction type: Buchwald-Hartwig Cross Coupling Reaction
reaction type: Heck Reaction
reaction type: Hiyama Coupling
reaction type: Negishi Coupling
reaction type: Sonogashira Coupling
reaction type: Stille Coupling
reaction type: Suzuki-Miyaura Coupling
reagent type: catalyst
reaction type: Cross Couplings

storage temp.

room temp

Application

Screening kit for CN (Buchwald-Hartwig) cross-coupling reaction. There are four possible screens that can be run based upon the user′s substrates. Step-by-step user guides and a downloadable experimental excel sheets for each screen is provided in the below hyperlinks.
Two Solvents, Weak Base (Cs2CO3)
Two Solvents, Strong Base (NaOt-Bu)
One Solvent (Dioxane), Two Bases
One Solvent (DMAc), Two Bases
Each kit contains 4 screening sets that contain the following:
Each customizable screening kit contains
  • 12 X 2 pre-weighed catalysts (1 μmol) in individual microvials with magnetic stir bars
  • 2 bases (NaOt-Bu and Cs2CO3)
  • 2 degassed anhydrous solvents (dioxane and DMAc) in ampules
  • 2 substrate reaction vials with stir bars
  • 1 internal standard
  • 4 reaction block replacement films

this protocol

Best when used with KitAlysis Benchtop Inertion Box
and 24-well Reaction Block
(sold separately).

Features and Benefits

  • Designed and tested by synthetic chemists
  • Easily run 24-microscale reaction in parallel
  • 10 μmol reactions with 1 μmol catalyst, 3 equiv. base, 0.1 M concentration
  • Customizable Excel Template for quick calculations and easy incorporation into electronic laboratory notebooks

Legal Information

KitAlysis is a trademark of Sigma-Aldrich Co. LLC

Kit Components Only

Product No.
Description
  • SnapIT Ampule Opener, Regular, for 1-2ml, 5-10ml, 10-15ml ampoules 1 EA

Kit Components Also Available Separately

Product No.
Description
SDS
  • 900634N,N-Dimethylacetamide, anhydrous, ZerO2®, 99.8% 8 mL
  • 9006401,4-Dioxane, anhydrous, ZerO2®, 99.8% 8 mL
  • 702706Sodium tert-butoxide solution, 2 M in THF, ZerO2® 4 mL
  • 747130Josiphos SL-J009-1 Pd G3 5 µmol
  • 753009SPhos Pd G2 5 µmol
  • 753246RuPhos Pd G2 5 µmol
  • 756482P(t-Bu)3 Pd G2 5 µmol
  • 761605BrettPhos Pd G3, 98% 5 µmol
  • 762229tBuXPhos Pd G3, 98% 5 µmol
  • 763004CPhos Pd G3, 95% 5 µmol
  • 763039XantPhos Pd G3, 95% 5 µmol
  • 763381XPhos Pd G3, 98%, 1:1 MTBE adduct 5 µmol
  • 792357MorDalphos Pd G3 5 µmol
  • 804959DavePhos-Pd-G3, 95% 5 µmol
  • 804967rac-BINAP-Pd-G3, 95% 5 µmol
See All (15)

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 2 - Eye Dam. 1 - Repr. 1B - Self-heat. 1 - Skin Corr. 1B - STOT RE 2 Oral

Supplementary Hazards

EUH019

Storage Class Code

4.2 - Pyrophoric and self-heating hazardous materials

WGK

WGK 3

Flash Point(F)

-4.0 °F - closed cup

Flash Point(C)

-20 °C - closed cup

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Quotes and Ordering

Bulk Quote-Order Product
High-Throughput Experimentation in Catalysis and Materials Science.
Gordillo A, et al. et al.
Ullmann's Encyclopedia of Industrial Chemistry (2014)
Karl D Collins et al.
Nature chemistry, 6(10), 859-871 (2014-09-23)
New organic reactivity has often been discovered by happenstance. Several recent research efforts have attempted to leverage this to discover new reactions. In this Review, we attempt to unify reported approaches to reaction discovery on the basis of the practical
Scientist-Led High-Throughput Experimentation (HTE) and Its Utility in Academia and Industry.
Schmink JR, et al.
Aldrichimica Acta, 46, 71-80 (2013)
Spencer D Dreher et al.
Journal of the American Chemical Society, 130(29), 9257-9259 (2008-06-28)
Microscale parallel experimentation was used to discover three catalyst systems capable of coupling secondary organotrifluoroborates with sterically and electronically demanding aryl chlorides and bromides. The ensuing results represent the first comprehensive study of alkylboron coupling to aryl chlorides and, in

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Scale-Up Guide: Buchwald-Hartwig Amination Reaction

All of the preformed catalysts used in the kit are air and moisture stable complexes in their commercially available form. Once activated by base under the reaction conditions they become sensitive to air. To best enable scale-up success, the use of standard Schlenk technique is recommended.

See All

Protocols

Two solvents (Dioxane, DMAc), weak base (Cs2CO3) Step-by-Step Guide for Buchwald-Hartwig Amination Screening Kit

Solutions & slurries to make: Go to the online user set-up page to enter molecular weights into the downloadable excel file.

Two solvents (Dioxane, DMAc), Strong Base (NaOt-Bu) Step-by-Step Guide for Buchwald-Hartwig Amination Reaction Screening Kit

Protocol for the KitAlysis™ Buchwald-Hartwig Amination Reaction Screening Kit

Catalyst Screening followed by TLC-MS for Reaction Progress Analysis using KitAlysis™

Catalyst screening, KitAlysis™ High-Throughput Screening Kits, Thin layer chromatography (TLC), parallel analysis, parallel synthesisigh-Throughput Buchwald-Hartwig Amination Reaction Screening Kit, TLC-MS analysis

Related Content

One Solvent (Dioxane), two bases (NaOtBu, Cs2CO3) Step-by-Step Guide for Buchwald-Hartwig Amination Reaction Screening Kit

Solutions & slurries to make: Go to the online user set-up page to enter molecular weights into the downloadable excel file.

Reaction Design & Optimization

Chemical reaction design and optimization in organic synthesis aims to precisely alter reaction parameters to achieve optimum results in finding pathways to target molecules.

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