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KITALYSIS-CN

Sigma-Aldrich

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

Synonym(s):

Amination Screening Kit, Buchwald-Hartwig Amination

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About This Item

UNSPSC Code:
12161503
NACRES:
NA.22

reaction suitability

reaction type: Buchwald-Hartwig Amination
reaction type: Buchwald-Hartwig Cross Coupling Reaction
reaction type: Cross Couplings
reagent type: catalyst
core: palladium

storage temp.

room temp

Related Categories

General description

The KitAlysis™ High Throughput Buchwald–Hartwig Amination Reaction Screening Kit enables chemists to quickly and efficiently screen Buchwald–Hartwig C–N cross-coupling reaction conditions. Quick identification of optimal conditions allows faster scale-up of the synthetic reaction. All required chemicals come pre-weighed for ease of use. A step-by-step user guide and experimental excel sheets are available for download to facilitate the process.

Application

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)
Download the experimental excel file here
Two Solvents, Strong Base (NaOt-Bu)
Download the experimental excel file here
One Solvent (Dioxane), Two Bases
Download the experimental excel file here
One Solvent (DMAc), Two Bases
Download the experimental excel file here

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
Monitor reaction progress via TLC-MS by following 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 mLSDS
  • 9006401,4-Dioxane, anhydrous, ZerO2®, 99.8% 8 mLSDS
  • 702706Sodium tert-butoxide solution, 2 M in THF, ZerO2® 4 mLSDS
  • 747130Josiphos SL-J009-1 Pd G3 5 µmolSDS
  • 753009SPhos Pd G2 5 µmolSDS
  • 753246RuPhos Pd G2 5 µmolSDS
  • 756482P(t-Bu)3 Pd G2 5 µmolSDS
  • 761605BrettPhos Pd G3, 98% 5 µmolSDS
  • 762229tBuXPhos Pd G3, 98% 5 µmolSDS
  • 763004CPhos Pd G3, 95% 5 µmolSDS
  • 763039XantPhos Pd G3, 95% 5 µmolSDS
  • 763381XPhos Pd G3, 98%, 1:1 MTBE adduct 5 µmolSDS
  • 792357MorDalphos Pd G3 5 µmolSDS
  • 804959DavePhos-Pd-G3, 95% 5 µmolSDS
  • 804967rac-BINAP-Pd-G3, 95% 5 µmolSDS
See All (15)

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Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 1B - Eye Dam. 1 - Repr. 1B - Self-heat. 1 - Skin Corr. 1B - STOT RE 2 Oral - STOT SE 3

Target Organs

Central nervous system, Kidney,Adrenal gland,Testes, Respiratory system

Supplementary Hazards

EUH019

Storage Class Code

4.2 - Pyrophoric and self-heating hazardous materials

Flash Point(F)

-4.0 °F - closed cup

Flash Point(C)

-20 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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High-Throughput Experimentation in Catalysis and Materials Science.
Gordillo A, et al. et al.
Ullmann's Encyclopedia of Industrial Chemistry (2014)
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
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

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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.

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), strong base (NaOt-Bu) 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.

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.

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

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