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| CAS No.: | 193551-21-2 |
|---|---|
| Name: | SB 239063 |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C20H21FN4O2 |
| Molecular Weight: | 368.411 |
| Synonyms: | Tocris-1962;Kinome_3168;trans-1-(4-Hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypyridimidin-4-yl)imidazole; |
| Density: | 1.35g/cm3 |
| Melting Point: | 206-207.2?°C |
| Boiling Point: | 594.8°C at 760 mmHg |
| Flash Point: | 313.5°C |
| Hazard Symbols: | A poison by ingestion. |
| Safety: | A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and F−. |
| PSA: | 73.06000 |
| LogP: | 3.63080 |
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- Total:30 Page 1 of 1 1
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Chemistry
IUPAC Name: trans-4-(4-Fluorophenyl)-1-(4-hydroxycyclohexyl)-5-(2-methoxypyrimidin-4-yl)imidazole
Molecular Formula: C20H21FN4O2
Molecular Weight: 368.41
Freely Rotating Bonds: 5
Polar Surface Area: 73.06 Å2
Index of Refraction: 1.655
Molar Refractivity: 99.56 cm3
Molar Volume: 271.1 cm3
Polarizability: 39.47 ×10-24 cm3
Surface Tension: 49.2 dyne/cm
Density: 1.35 g/cm3
Flash Point: 313.5 °C
Enthalpy of Vaporization: 93.22 kJ/mol
Boiling Point: 594.8 °C at 760 mmHg
Vapour Pressure: 5.42E-15 mmHg at 25°C
The Cas Register Number of trans-1-(4-Hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypy-rimidin-4-yl)imidazole is 193551-21-2.The chemical synonyms of trans-1-(4-Hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypy-rimidin-4-yl)imidazole (CAS NO.193551-21-2) are cyclohexanol, 4-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl]-, trans- ; trans-4-[4-(4-Fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexanol ; 193551-21-2 [RN] ; 4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol ; trans -1-(4-Hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazole and trans-4-[4-(4-Fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl]cyclohexanol . The molecular structure of trans-1-(4-Hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypy-rimidin-4-yl)imidazole (CAS NO.193551-21-2) is
.
Uses
trans-1-(4-Hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypy-rimidin-4-yl)imidazole (CAS NO.193551-21-2) is used as pharmaceutical intermediate.
Production
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The condensation of p- fluorobenzaldehyde (I) with p-toluenesulfinic acid (II) in the presence of camphorsulfonic acid in formamide produced the tosylmethyl formamide (III). This was dehydrated to the required isocyanide (IV) using POCl3 and Et3N in cold dimethoxyethane
Toxicity Data With Reference
| 1. | orl-mus TDLo:2.5 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 293 (2000),281. | ||
| 2. | orl-gpg TDLo:10 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 293 (2000),281. |
Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and F−.
Safety Statements: 22-24/25
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: GV9458000