Elitela chrom 70173815

Manufactured by Waters Corporation

The EliteLa Chrom 70173815 is a liquid chromatography instrument manufactured by Waters Corporation. It is designed for the separation, identification, and quantification of chemical compounds in a liquid sample.

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Lab products found in correlation

Xbridge c8, by Waters Corporation (38 mentions)

38 protocols using elitela chrom 70173815

NMR Characterization of Novel Compound

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Example 41

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1H NMR (400 MHz, DMSO-d6/D2O) 7.47-7.34 (m, 1H), 7.24-7.06 (m, 1H), 6.89-6.78 (m, 3H), 6.77-6.70 (m, 1H), 6.24-6.13 (m, 1H), 6.07-5.92 (m, 1H), 5.72-5.63 (m, 1H), 4.56-3.02 (m, 3H), 2.77-2.66 (m, 1H), 2.59-2.50 (m, 1H), 2.14 (s, 3H), 2.11 (s, 3H). Rotamers MS (ESI+): 399.1 [M+H−H₂O]. HPLC: EliteLa Chrom 70173815; Waters XBridge C8 3.5 μm 4.6×50 mm-8.1 min; 2 mL/min; 215 nm; buffer A: 0.05% TFA/H2O; buffer B: 0.04% TFA/ACN; 0.0-0.2 min 5% buffer B; 0.2-8.1 min 5%-100% buffer B; 8.1-10.0 min 100%-5% buffer B. Rt. 5.24 min.

US10669289B2. Boronic acid derivatives (2020-06-02). MERCK PATENT GMBH [DE]. Inventors: Markus Klein [DE], Oliver Schadt [DE], Philipp Haselmayer [DE], Mireille Krier [DE].

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NMR Characterization of Novel Organic Compound

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Example 52

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1H NMR (400 MHz, DMSO-d6/D2O) ppm=6.99-6.83 (m, 3H), 6.76-6.55 (m, 1H), 6.16-6.01 (m, 1H), 5.79-5.63 (m, 1H), 4.95-4.49 (m, 1H), 3.28-3.15 (m, 1H), 2.87-2.62 (m, 5H), 2.26-2.17 (m, 6H), 1.27-1.14 (m, 3H). MS (ESI+): 315.1 [M+H−H₂O]. HPLC: EliteLa Chrom 70173815; Waters XBridge C8 3.5 μm 4.6×50 mm-8.1 min; 2 mL/min; 215 nm; buffer A: 0.05% TFA/H2O; buffer B: 0.04% TFA/ACN; 0.0-0.2 min 5% buffer B; 0.2-8.1 min 5%-100% buffer B; 8.1-10.0 min 100%-5% buffer B. Rt. 4.15 min.

US10669289B2. Boronic acid derivatives (2020-06-02). MERCK PATENT GMBH [DE]. Inventors: Markus Klein [DE], Oliver Schadt [DE], Philipp Haselmayer [DE], Mireille Krier [DE].

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NMR Analysis of Organic Compound

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Example 46

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1H NMR (400 MHz, DMSO-d6/D2O) 7.46-7.16 (m, 5H), 7.01-6.69 (m, 3H), 6.18-6.05 (m, 1H), 5.84-5.65 (m, 1H), 5.57-5.48 (m, 1H), 5.05-4.83 (m, 1H), 3.29-3.14 (m, 1H), 2.78 (dd, J=14.3, 5.4 Hz, 1H), 2.65-2.52 (m, 1H), 2.24-2.05 (m, 6H), 1.05-0.69 (m, 3H). Rotamers. MS (ESI+): 377.2 [M+H−H₂O]. HPLC: EliteLa Chrom 70173815; Waters XBridge C8 3.5 μm 4.6×50 mm-8.1 min; 2 mL/min; 215 nm; buffer A: 0.05% TFA/H2O; buffer B: 0.04% TFA/ACN; 0.0-0.2 min 5% buffer B; 0.2-8.1 min 5%-100% buffer B; 8.1-10.0 min 100%-5% buffer Rt. 5.26 min.

US10669289B2. Boronic acid derivatives (2020-06-02). MERCK PATENT GMBH [DE]. Inventors: Markus Klein [DE], Oliver Schadt [DE], Philipp Haselmayer [DE], Mireille Krier [DE].

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Characterization of Dihydropyridine Analogue

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Example 64

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1H NMR (400 MHz, DMSO-d6/D2O) 7.39 (s, 1H), 7.35 (d, J=8.1 Hz, 1H), 7.24 (d, J=8.0 Hz, 1H), 6.68-6.17 (m, 1H), 6.12-5.95 (m, 1H), 5.73-5.50 (m, 1H), 3.95-3.74 (m, 2H), 3.39-3.02 (m, 3H), 2.93-2.82 (m, 1H), 2.71 (dd, J=14.1, 10.3 Hz, 1H), 2.31-2.27 (m, 3H), 0.99-0.83 (m, 3H). MS (ESI+): 369.2 [M+H−H₂O]. HPLC: EliteLa Chrom 70173815; Waters XBridge C8 3.5 μm 4.6×50 mm-8.1 min; 2 mL/min; 215 nm; buffer A: 0.05% TFA/H2O; buffer B: 0.04% TFA/ACN; 0.0-0.2 min 5% buffer B; 0.2-8.1 min 5%-100% buffer B; 8.1-10.0 min 100%-5% buffer B. Rt. 4.50 min.

US10669289B2. Boronic acid derivatives (2020-06-02). MERCK PATENT GMBH [DE]. Inventors: Markus Klein [DE], Oliver Schadt [DE], Philipp Haselmayer [DE], Mireille Krier [DE].

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Synthesis and Characterization of Novel Compound

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Example 104

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1H NMR (400 MHz, DMSO-d6+4 drops D2O) d 7.68-7.49 (m, 2H), 7.27-7.11 (m, 3H), 6.85 (dd, J=5.1, 3.4 Hz, 1H), 6.72-6.63 (m, 1H), 6.17 (dd, J=16.8, 1.9 Hz, 1H), 6.12-5.87 (m, 1H), 5.72-5.57 (m, 1H), 4.32 (d, J=16.3 Hz, 1H), 4.23 (d, J=16.3 Hz, 1H), 3.20 (dd, J=7.8, 5.3 Hz, 1H), 3.01 (dd, J=15.0, 5.1 Hz, 1H), 2.89 (dd, J=15.0, 7.9 Hz, 1H). MS (ESI+): 421.1 [M+H−H₂O]. HPLC: EliteLa Chrom 70173815; Waters XBridge C8 3.5 μm 4.6×50 mm-8.1 min; 2 mL/min; 215 nm; buffer A: 0.05% TFA/H2O; buffer B: 0.04% TFA/ACN; 0.0-0.2 min 5% buffer B; 0.2-8.1 min 5%-100% buffer B; 8.1-10.0 min 100%-5% buffer B. Rt. 4.85 min.

US10669289B2. Boronic acid derivatives (2020-06-02). MERCK PATENT GMBH [DE]. Inventors: Markus Klein [DE], Oliver Schadt [DE], Philipp Haselmayer [DE], Mireille Krier [DE].

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Spectroscopic Analysis of Organic Compound

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Example 69

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1H NMR (400 MHz, DMSO-d6/D2O) d 7.44 (d, J=8.2 Hz, 1H), 7.35 (d, J=2.0 Hz, 1H), 7.12 (dd, J=8.3, 2.1 Hz, 1H), 6.97 (dd, J=16.9, 10.4 Hz, 1H), 6.11 (dd, J=17.0, 2.2 Hz, 1H), 5.71 (dd, J=10.2, 2.2 Hz, 1H), 3.97-3.77 (m, 2H), 3.21 (dd, J=9.0, 5.3 Hz, 1H), 2.80 (dd, J=13.8, 5.3 Hz, 1H), 2.77-2.70 (m, 1H), 2.65 (dd, J=13.8, 9.0 Hz, 1H), 0.81-0.70 (m, 2H), 0.63-0.52 (m, 2H). MS (ESI+): 367.1 [M+H−H₂O]. HPLC: EliteLa Chrom 70173815; Waters XBridge C8 3.5 μm 4.6×50 mm-8.1 min; 2 mL/min; 215 nm; buffer A: 0.05% TFA/H2O; buffer B: 0.04% TFA/ACN; 0.0-0.2 min 5% buffer B; 0.2-8.1 min 5%-100% buffer B; 8.1-10.0 min 100%-5% buffer B. Rt. 4.42 min.

US10669289B2. Boronic acid derivatives (2020-06-02). MERCK PATENT GMBH [DE]. Inventors: Markus Klein [DE], Oliver Schadt [DE], Philipp Haselmayer [DE], Mireille Krier [DE].

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NMR Characterization of Organic Compound

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Example 44

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1H NMR (400 MHz, DMSO-d6/D2O) 7.47-6.97 (m, 9H), 6.24-6.13 (m, 1H), 5.95 (dd, J=16.8, 10.3 Hz, 1H), 5.69-5.59 (m, 1H), 4.70-4.52 (m, 1H), 3.80-3.67 (m, 1H), 3.32-3.11 (m, 1H), 2.78 (dd, J=13.8, 5.4 Hz, 1H), 2.71-2.58 (m, 1H). MS (ESI+): 353.1 [M+H−H₂O]. HPLC: EliteLa Chrom 70173815; Waters XBridge C8 3.5 μm 4.6×50 mm-8.1 min; 2 mL/min; 215 nm; buffer A: 0.05% TFA/H2O; buffer B: 0.04% TFA/ACN; 0.0-0.2 min 5% buffer B; 0.2-8.1 min 5%-100% buffer B; 8.1-10.0 min 100%-5% buffer B. Rt. 4.46 min.

US10669289B2. Boronic acid derivatives (2020-06-02). MERCK PATENT GMBH [DE]. Inventors: Markus Klein [DE], Oliver Schadt [DE], Philipp Haselmayer [DE], Mireille Krier [DE].

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NMR and MS Characterization of Compound

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Example 60

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1H NMR (400 MHz, DMSO-d6/D2O) 7.46-7.43 (m, 1H), 7.28-7.20 (m, 2H), 6.80-6.24 (m, 1H), 6.23-6.07 (m, 1H), 5.82-5.65 (m, 1H), 4.06-3.85 (m, 4H), 3.38-3.13 (m, 1H), 2.98-2.89 (m, 1H), 2.77-2.66 (m, 1H). MS (ESI+): 409.0 [M+H−H₂O]. HPLC: EliteLa Chrom 70173815; Waters XBridge C8 3.5 μm 4.6×50 mm-8.1 min; 2 mL/min; 215 nm; buffer A: 0.05% TFA/H2O; buffer B: 0.04% TFA/ACN; 0.0-0.2 min 5% buffer B; 0.2-8.1 min 5%-100% buffer B; 8.1-10.0 min 100%-5% buffer B. Rt. 5.04 min.

US10669289B2. Boronic acid derivatives (2020-06-02). MERCK PATENT GMBH [DE]. Inventors: Markus Klein [DE], Oliver Schadt [DE], Philipp Haselmayer [DE], Mireille Krier [DE].

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NMR Characterization of Organic Compound

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Example 40

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1H NMR (400 MHz, DMSO-d6/D2O) ? 7.48-7.44 (m, 1H), 7.29-7.21 (m, 2H), 6.74-6.25 (m, 1H), 6.14-5.98 (m, 1H), 5.73-5.53 (m, 1H), 3.94-3.63 (m, 2H), 3.39-3.13 (m, 3H), 2.98-2.90 (m, 1H), 2.74 (dd, J=14.0, 10.4 Hz, 1H), 1.04-0.88 (m, 3H). MS (ESI+): 355.0 [M+H−H₂O]. HPLC: EliteLa Chrom 70173815; Waters XBridge C8 3.5 μm 4.6×50 mm-8.1 min; 2 mL/min; 215 nm; buffer A: 0.05% TFA/H2O; buffer B: 0.04% TFA/ACN; 0.0-0.2 min 5% buffer B; 0.2-8.1 min 5%-100% buffer B; 8.1-10.0 min 100%-5% buffer B. Rt. 4.46 min.

US10669289B2. Boronic acid derivatives (2020-06-02). MERCK PATENT GMBH [DE]. Inventors: Markus Klein [DE], Oliver Schadt [DE], Philipp Haselmayer [DE], Mireille Krier [DE].

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Synthesis and Characterization of Novel Compound

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Example 87

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1H NMR (400 MHz, DMSO-d6)+D2O) d 7.61-7.52 (m, 1H), 7.46-7.29, 7.29-7.19 (2×m, 3H, mixture of rotamers), 6.92-6.67 (m, 3H), 6.24-6.10 (m, 1H), 5.85-5.72 (m, 1H), 5.66-5.56 (m, 1H), 4.82-4.64 (m, 1H), 3.58-3.43 (m, 1H), 3.23-3.13, 3.13-3.03 (2×m, 1H, ratio 1:1, mixture of rotamers), 2.82-2.65 (m, 1H), 2.65-2.52 (m, 1H), 2.15, 2.14, 2.13, 2.10 (4×s, 6H, ratio 1:1, mixture of rotamers). MS (ESI+): 397.2 [M+H−H₂O]. HPLC: EliteLa Chrom 70173815; Waters XBridge C8 3.5 μm 4.6×50 mm-8.1 min; 2 mL/min; 215 nm; buffer A: 0.05% TFA/H2O; buffer B: 0.04% TFA/ACN; 0.0-0.2 min 5% buffer B; 0.2-8.1 min 5%-100% buffer B; 8.1-10.0 min 100%-5% buffer B. Rt. 5.17 min.

US10669289B2. Boronic acid derivatives (2020-06-02). MERCK PATENT GMBH [DE]. Inventors: Markus Klein [DE], Oliver Schadt [DE], Philipp Haselmayer [DE], Mireille Krier [DE].

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