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Cas Database |
| Name |
Lumiracoxib |
EINECS | 1308068-626-2 |
| CAS No. | 220991-20-8 | Density | 1.363 g/cm3 |
| PSA | 49.33000 | LogP | 4.23120 |
| Solubility | N/A | Melting Point |
139-141 °C |
| Formula | C15H13ClFNO2 | Boiling Point | 395.7 °C at 760 mmHg |
| Molecular Weight | 293.725 | Flash Point | 193.1 °C |
| Transport Information | N/A | Appearance | Pale yellow solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-[(2-Chloro-6-fluorophenyl)amino]-5-methylbenzeneaceticacid;2-[2-(2-Chloro-6-fluorophenylamino)-5-methylphenyl]acetic acid;CGS35189;COX 189;Prexige; |
Article Data | 8 |
Lumiracoxib Synthetic route
- 332903-83-0
1-(2-chloro-6-fluorophenyl)-5-methylindolin-2-one
- 220991-20-8
lumiracoxib
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol; water Heating; | 90% |
| With hydrogenchloride; sodium hydroxide In ethanol; water |
- 1234562-75-4
potassium 2-iodo-5-methylphenylacetate
- 363-51-9
2-chloro-6-fluoroaniline
- 220991-20-8
lumiracoxib
| Conditions | Yield |
|---|---|
| With 1-methyl-pyrrolidin-2-one; copper(l) iodide; potassium carbonate at 100℃; Ullmann coupling; | 41% |
- 363-51-9
2-chloro-6-fluoroaniline
- 220991-20-8
lumiracoxib
| Conditions | Yield |
|---|---|
| Multi-step reaction with 7 steps 1.1: NaH / dimethylformamide / 1 h / 0 - 4 °C 1.2: 91 percent / dimethylformamide / 20 h / 50 - 55 °C 2.1: HCl gas / ethyl acetate / 2.5 h / -5 - 0 °C 2.2: H2O / ethyl acetate / 36 h / 20 - 25 °C 3.1: 80 percent / H2SO4; EtOH; H2O / H2O / 4 h / 66 - 70 °C 4.1: 83 percent / Red-Al / toluene / 1.5 h / 60 - 62 °C 5.1: 82 percent / toluene / 80 - 90 °C 6.1: 80 percent / AlCl3 / 3 h / 170 °C 7.1: 90 percent / aq. NaOH / ethanol; H2O / Heating View Scheme | |
| Multi-step reaction with 4 steps 1: 90 percent / t-BuONa; t-Bu3P / Pd(dba)2 / toluene / 14 h / 110 °C 2: 82 percent / toluene / 80 - 90 °C 3: 80 percent / AlCl3 / 3 h / 170 °C 4: 90 percent / aq. NaOH / ethanol; H2O / Heating View Scheme | |
| Multi-step reaction with 3 steps 1: 76 percent / pTsOH*H2O / toluene / 18 h / Heating 2: 76 percent / I2; DBU / xylene / 36 h / 155 °C 3: 90 percent / aq. NaOH / ethanol; H2O / Heating View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 90 percent / t-BuONa; t-Bu3P / Pd(dba)2 / toluene / 14 h / 110 °C 2: 82 percent / toluene / 80 - 90 °C 3: 80 percent / AlCl3 / 3 h / 170 °C 4: 90 percent / aq. NaOH / ethanol; H2O / Heating View Scheme |
- 106-49-0
p-toluidine
- 220991-20-8
lumiracoxib
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 70 percent / t-BuONa; (+)-BINAP / Pd(dba)2 / toluene / 110 °C 2: 82 percent / toluene / 80 - 90 °C 3: 80 percent / AlCl3 / 3 h / 170 °C 4: 90 percent / aq. NaOH / ethanol; H2O / Heating View Scheme |
- 309721-44-6
2-bromo-3-fluoro-chlorobenzene
- 220991-20-8
lumiracoxib
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 70 percent / t-BuONa; (+)-BINAP / Pd(dba)2 / toluene / 110 °C 2: 82 percent / toluene / 80 - 90 °C 3: 80 percent / AlCl3 / 3 h / 170 °C 4: 90 percent / aq. NaOH / ethanol; H2O / Heating View Scheme |
- 623-03-0
4-Cyanochlorobenzene
- 220991-20-8
lumiracoxib
| Conditions | Yield |
|---|---|
| Multi-step reaction with 7 steps 1.1: NaH / dimethylformamide / 1 h / 0 - 4 °C 1.2: 91 percent / dimethylformamide / 20 h / 50 - 55 °C 2.1: HCl gas / ethyl acetate / 2.5 h / -5 - 0 °C 2.2: H2O / ethyl acetate / 36 h / 20 - 25 °C 3.1: 80 percent / H2SO4; EtOH; H2O / H2O / 4 h / 66 - 70 °C 4.1: 83 percent / Red-Al / toluene / 1.5 h / 60 - 62 °C 5.1: 82 percent / toluene / 80 - 90 °C 6.1: 80 percent / AlCl3 / 3 h / 170 °C 7.1: 90 percent / aq. NaOH / ethanol; H2O / Heating View Scheme |
- 2040-90-6
2-chloro-6-fluorophenol
- 220991-20-8
lumiracoxib
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: propan-2-ol / Heating 2: MeONa / methanol / 2 h / 85 °C 3: 82 percent / toluene / 80 - 90 °C 4: 80 percent / AlCl3 / 3 h / 170 °C 5: 90 percent / aq. NaOH / ethanol; H2O / Heating View Scheme |
- 16634-82-5
N-(p-tolyl)-2-chloroacetamide
- 220991-20-8
lumiracoxib
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: propan-2-ol / Heating 2: MeONa / methanol / 2 h / 85 °C 3: 82 percent / toluene / 80 - 90 °C 4: 80 percent / AlCl3 / 3 h / 170 °C 5: 90 percent / aq. NaOH / ethanol; H2O / Heating View Scheme |
- 332903-74-9
N-(2-chloro-6-fluoro-phenyl)-4-methylaniline
- 220991-20-8
lumiracoxib
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 82 percent / toluene / 80 - 90 °C 2: 80 percent / AlCl3 / 3 h / 170 °C 3: 90 percent / aq. NaOH / ethanol; H2O / Heating View Scheme |
Lumiracoxib Chemical Properties
IUPAC Name: 2-[2-(2-Chloro-6-fluoroanilino)-5-methylphenyl]acetic acid
Empirical Formula: C15H13ClFNO2
Molecular Weight: 293.7206
Classification Code: Analgesics ; Analgesics, Non-Narcotic ; Anti-Inflammatory Agents ; Anti-Inflammatory Agents, Non-Steroidal ; COX-2 Inhibitors ; Cyclooxygenase 2 Inhibitors ; Cyclooxygenase Inhibitors ; Enzyme Inhibitors ; Peripheral Nervous System Agents ; Sensory System Agents ; Treatment of rheumatoid arthritis, osteoarthritis, and pain prevention
Freely Rotating Bonds: 4
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.628
Molar Refractivity: 76.45 cm3
Molar Volume: 215.3 cm3
Polarizability: 30.3×10-24 cm3
Surface Tension: 52.4 dyne/cm
Density: 1.363 g/cm3
Flash Point: 193.1 °C
Enthalpy of Vaporization: 68.12 kJ/mol
Boiling Point: 395.7 °C at 760 mmHg
Vapour Pressure: 5.68E-07 mmHg at 25°C
The Cas Register Number of Lumiracoxib is 220991-20-8.The chemical synonyms of Lumiracoxib (CAS NO.220991-20-8) are Benzeneacetic acid, 2-((2-chloro-6-fluorophenyl)amino)-5-methyl-. Product categories of Lumiracoxib (CAS NO.220991-20-8) are Aromatics Compounds ; Aromatics ; Intermediates and Fine Chemicals ; Pharmaceuticals . The molecular structure of Lumiracoxib (CAS NO.220991-20-8) is
.bmp)
.
Lumiracoxib Uses
Lumiracoxib (CAS NO.220991-20-8) is used as COX-2 selective inhibitor non-steroidal anti-inflammatory drug.
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