Cloperastine

Base Information

• Chemical Name: Cloperastine
• CAS No.: 3703-76-2
• Molecular Formula: C20H24 Cl N O
• Molecular Weight: 329.87
• Hs Code.: 2933399090
• European Community (EC) Number: 223-042-3
• UNII: 69M5L7BXEK
• DSSTox Substance ID: DTXSID7048532
• Nikkaji Number: J3.407J
• Wikipedia: Cloperastine
• Wikidata: Q2055825
• NCI Thesaurus Code: C78106
• Metabolomics Workbench ID: 152076
• ChEMBL ID: CHEMBL415087
• Mol file: 3703-76-2.mol

Synonyms:1-(2-((4-chloro-alpha-phenylbenzyl)oxy)ethyl)piperidine;cloperastine;cloperastine hydrochloride

Chemical Property of Cloperastine

Chemical Property:

• Vapor Pressure: 2.15E-07mmHg at 25°C
• Refractive Index: 1.5790 (estimate)
• Boiling Point: 423.9°Cat760mmHg
• PKA: 8.69±0.10(Predicted)
• Flash Point: 210.2°C
• PSA: 12.47000
• Density: 1.12g/cm³
• LogP: 4.86980
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 329.1546421
• Heavy Atom Count: 23
• Complexity: 318

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cloperastine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
• Uses: Cloperastine Hydrochloride (C587213) is an anti-tussive drug as an over-the-counter cold medicine.
• Therapeutic Function: Antitussive

Technology Process of Cloperastine

There total 3 articles about Cloperastine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.7%

piperidine (110-89-4) + (4-chlorophenyl)phenylmethyl 2-chloroethyl ether (5321-46-0,132301-88-3) → Cloperastine (3703-76-2,132301-89-4)

Guidance literature:

With sodium carbonate; at 95 ℃; for 14h;

Reference yield:

(4-chlorophenyl)phenylmethanol (119-56-2) → Cloperastine (3703-76-2,132301-89-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / toluene / 5 h / Reflux

2: sodium carbonate / 14 h / 95 °C

With sulfuric acid; sodium carbonate; In toluene;

Reference yield:

→ Cloperastine (3703-76-2,132301-89-4)

Guidance literature:

<2-Chlor-ethyl>--ether, 2 mol Piperidin, Benzol, 100grad;

upstream raw materials:

(4-chlorophenyl)phenylmethanol

piperidine

(4-chlorophenyl)phenylmethyl 2-chloroethyl ether

Downstream raw materials:

levocloperastine

levocloperastine fendizoate

(R)-1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]piperidine

Refernces