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| CAS No.: | 3703-76-2 |
|---|---|
| Name: | CLOPERASTINE |
| Molecular Structure: | |
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| Formula: | C20H24 Cl N O |
| Molecular Weight: | 329.87 |
| Synonyms: | Piperidine,1-[2-[(p-chloro-a-phenylbenzyl)oxy]ethyl]-(6CI,7CI,8CI); (?à)-Cloperastine;1-[2-[(p-Chloro-a-phenylbenzyl)oxy]ethyl]piperidine;Cloperastine; p-Chlorobenzhydryl 2-(1-piperidyl)ethyl ether |
| Density: | 1.12g/cm3 |
| Boiling Point: | 423.9°Cat760mmHg |
| Flash Point: | 210.2°C |
| Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx. |
| PSA: | 12.47000 |
| LogP: | 4.86980 |
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piperidine
- 5321-46-0, 132301-88-3
(4-chlorophenyl)phenylmethyl 2-chloroethyl ether
- 3703-76-2
Cloperastine
| Conditions | Yield |
|---|---|
| With sodium carbonate at 95℃; for 14h; | 80.7% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sulfuric acid / toluene / 5 h / Reflux 2: sodium carbonate / 14 h / 95 °C View Scheme |
- 3703-76-2
Cloperastine
- 84627-04-3
2-<(2'-hydroxy-5'-biphenylyl)carbonyl>benzoic acid
| Conditions | Yield |
|---|---|
| In water; acetone for 2h; Solvent; Reflux; | 96.2% |
- 745783-97-5
triethyl(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane
- 3703-76-2
Cloperastine
| Conditions | Yield |
|---|---|
| With 3,4,7,8-Tetramethyl-o-phenanthrolin; ferrous iodide; sodium t-butanolate In tetrahydrofuran at 120℃; for 12h; Schlenk technique; Glovebox; Inert atmosphere; | 88% |
- 3703-76-2
Cloperastine
| Conditions | Yield |
|---|---|
| In dichloromethane at 70℃; for 1h; | 85% |
- 3703-76-2
Cloperastine
| Conditions | Yield |
|---|---|
| Stage #1: Cloperastine With water-d2; lithium carbonate; triisopropylsilanethiol In 1-methyl-pyrrolidin-2-one at 20℃; Irradiation; Stage #2: With hydrogenchloride In 1-methyl-pyrrolidin-2-one | 78% |
- 3703-76-2
Cloperastine
| Conditions | Yield |
|---|---|
| In dichloromethane at 70℃; for 3h; | 78% |
- 3703-76-2
Cloperastine
| Conditions | Yield |
|---|---|
| With bis(1,5-cyclooctadiene)nickel (0); Dimethyl(phenyl)phosphine In toluene at 70℃; for 18h; Schlenk technique; Sealed tube; | 59% |
- 3703-76-2
Cloperastine
| Conditions | Yield |
|---|---|
| With di-p-anisoyl-L-tartaric acid In ethanol at 60℃; for 2h; |
- 3703-76-2
Cloperastine
| Conditions | Yield |
|---|---|
| With tritium oxide In 1-methyl-pyrrolidin-2-one at 20℃; Irradiation; |
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Chemistry
Product Name: Cloperastine (CAS NO.3703-76-2)
Molecular Formula: C20H24ClNO
Molecular Weight: 329.86g/mol
Mol File: 3703-76-2.mol
Einecs: 223-042-3
Boiling point: 423.9 °C at 760 mmHg
Storage Temperature:
Flash Point: 210.2 °C
Density: 1.12 g/cm3
Surface Tension: 42.1 dyne/cm
Enthalpy of Vaporization: 67.83 kJ/mol
Vapour Pressure: 2.15E-07 mmHg at 25°C
XLogP3-AA: 4.8
H-Bond Donor: 0
H-Bond Acceptor: 2
Toxicity Data With Reference
| 1. | orl-rat LD50:2325 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),241. | ||
| 2. | ipr-rat LD50:120 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),241. | ||
| 3. | orl-mus LD50:600 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),241. | ||
| 4. | ipr-mus LD50:96 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),241. |
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx.
Specification
Cloperastine ,its CAS NO. is 3703-76-2,the synonyms is 1-(2-((4-Chlorophenyl)phenylmethoxy)ethyl)-piperidin ; 1-(2-((4-Chlorophenyl)phenylmethoxy)ethyl)piperidine ; 1-(2-((p-Chloro-alpha-phenylbenzyl)oxy)ethyl)-piperidin ; 1-(2-[(4-Chlorophenyl)(phenyl)methoxy]ethyl)piperidine ; 1-[2-[p-Chloro-phenylbenzyl)-oxy]ethy]piperidine ; 1-{2-[(p-Chloro-alpha-phenylbenzyl)oxy]ethyl}piperidine ; Piperidine, 1-(2-((p-chloro-alpha-phenylbenzyl)oxy)ethyl)- .