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3703-76-2

Basic Information
CAS No.: 3703-76-2
Name: CLOPERASTINE
Article Data: 2
Molecular Structure:
Molecular Structure of 3703-76-2 (CLOPERASTINE)
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
Synthetic route
110-89-4

piperidine

5321-46-0, 132301-88-3

(4-chlorophenyl)phenylmethyl 2-chloroethyl ether

3703-76-2

Cloperastine

Conditions
ConditionsYield
With sodium carbonate at 95℃; for 14h;80.7%
119-56-2

(4-chlorophenyl)phenylmethanol

3703-76-2

Cloperastine

Conditions
ConditionsYield
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

levocloperastine fendizoate

Conditions
ConditionsYield
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

1-(2-(phenyl(4-(triethylsilyl)phenyl)methoxy)ethyl)piperidine

Conditions
ConditionsYield
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

2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-methylbutanoic acid chloromethyl ester

1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]-1-[[2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-methyl-1-oxobutoxy]methyl]piperidinium chloride

Conditions
ConditionsYield
In dichloromethane at 70℃; for 1h;85%
3703-76-2

Cloperastine

C20H13(2)H11ClNO*ClH

Conditions
ConditionsYield
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

3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethylpropanoic acid iodomethyl ester

1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]-1-[[3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethyl-1-oxopropoxy]methyl]piperidinium iodide

Conditions
ConditionsYield
In dichloromethane at 70℃; for 3h;78%
3703-76-2

Cloperastine

sodium trimethylsilyldimethylsilanolate

1-(2-(phenyl(4-trimethylsilylphenyl)methoxy)ethyl)piperidine

Conditions
ConditionsYield
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

levocloperastine

Conditions
ConditionsYield
With di-p-anisoyl-L-tartaric acid In ethanol at 60℃; for 2h;
3703-76-2

Cloperastine

C20H13(3)H11ClNO

Conditions
ConditionsYield
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)- .