ichemexplorer ichemexplorer ™ chemistry screening tools

iChemExplorer

iChemExplorer™ Chemistry Screening Tools

iChemExploreriChemExplorerSlide 2

iChemExplorer for your Chemistry

Automate the work so I can gather more data

Organize the data so I can better understand it

iChemExplorer to automate work and organize data in the chem lab


iChemExplorer Tool Set

• Hardware to Heat and Stir vials in the HPLC autosampler

• Software to Visualize results


When You Need iChemExplorer

Current Applications• Design of Experiments • Reaction Monitoring• Solubility Screening• Solvent Selection• Stability Testing• Catalyst Screening


iChemExplorer = Fast Turnaround

Five runs in the time of one run Mon Tues Wed Thur Fri

Traditional Prep Run Sample

Analyze Data Present

iChem

Prep Night – Run Sample Analyze Data

Present Prep Night – Run Sample Analyze Data




Experiment Cycle

Prep> Run/Sample> Analyze> Data> Present


Peak Profile to See ResultsFollow changes from

one sample to the nextin Real Time

Vial # 34 P(2-MePh)3 97%

0

20

40

60

80

100

0 5 10 15 20Sample #

Are

a%

Byproduct

Product

Reagent

Difference

m in0.5 1 1.5 2 2.5

Norm .

0

100

200

300

400

DAD1 C, Sig=254,4 Ref=off (C:\EXAM PL~1\034-0801.D)

1

.29

7 1

.32

9

1.8

08

2.2

20

2.4

80

2.5

90

m in0.5 1 1.5 2 2.5

Norm .

0

200

400

600

800

DAD1 C, Sig=254,4 Ref=off (C:\EXAM PL~1\034-D201.D)

0.7

22

0.8

11

1

.09

4

1.1

49

1.2

24

1.2

90

1.3

74

1.4

27

1

.48

7

1.6

08

1.6

41

1.7

06

1.8

08

1.8

73

2.0

73

2.4

32

m in0.5 1 1.5 2 2.5

Norm .

0

100

200

300

400

500

600

DAD1 C, Sig=254,4 Ref=off (C:\EXAM PL~1\034-IE01.D)

0.6

83

0.7

90

1.0

36

1.0

93

1

.14

9

1.2

23

1.2

91

1.3

73

1.4

25

1

.48

6

1.6

08

1.7

06

1.8

72


Example as Effective Process Tool

A + B -> C

C + B -> D

Desired reaction

Overdose forms dimer

NOTEDosing

and Sampling

done overnight with ICE on HPLC

“Save the batch!”

+0.25eq

+0.25eq.

+0.25eq.+0.25eq.

+0.25eq.Starting Material

Product

Dimer

0.25eq. = 2.5ul; addition by HPLC autosampler

0.75 eq.optimum

This Peak Profile used as evidence


Extend the Value of the HPLC

• Heat and stir in the HPLC autosampler

• Same footprint to save space

• Same PC that runs HPLC software

• Use HPLC as before – same specs, service and parts


It All Happens in a Sealed Vial

• Save precious starting materials

• Near-constant concentration through sampling

• Vial with crimp top seals solvents and gases inside for extended periods

2 ml and 6 ml vials sizes


Walk-up Chemistry

• “Fill in the blanks” to create serial sampling sequences with current methods

• “Set it and forget it” temperature and stir speed control

• Data presentation as acquired in real-time


iChemExplorer User Interface

iSample tabFill in the blanks to create sampling sequence

iHeat tabManual and automatic control of temperature

iGraph tabCreate and customize Peak Profiles; paste to other applications; Export in MS Excel


Visualize Analytical Results

Traffic Light Plot

With Peak Profile and

Chromatograph


Copy & Paste

Copy and Paste to any Windows application such as Microsoft® Office and enotebooks


Export to ExcelOne-button export of peak profiles,

chromatographs and numerical data


Support And Service

• On-site installation and training

• Support tailored to user needs

• Service packages available for on-site support

• Access to experienced user group

• Don’t forget your ChemGlass account manager


Additional Information

Contact your local Chemglass

Account ManagerCheck out the latest products by Chemglass

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