Zuclopenthixol acetate

Base Information

• Chemical Name: Zuclopenthixol acetate
• CAS No.: 85721-05-7
• Molecular Formula: C₂₄H₂₇ClN₂O₂S
• Molecular Weight: 443.01
• European Community (EC) Number: 288-415-5
• UNII: 349S2ZHF05
• DSSTox Substance ID: DTXSID00235032
• Nikkaji Number: J310.827I
• Wikidata: Q27256348
• NCI Thesaurus Code: C95835
• Mol file: 85721-05-7.mol

Synonyms:(Z)-4-(3-(2-chlorothioxanthen-9-ylidene)propyl)-1-piperazineethanol acetate;clopenthixol acetate ester;Clopixol-Acuphase;zuclopenthixol acetate

Chemical Property of Zuclopenthixol acetate

Chemical Property:

• Vapor Pressure: 8.62E-14mmHg at 25°C
• Boiling Point: 587.7°Cat760mmHg
• Flash Point: 309.2°C
• PSA: 58.08000
• Density: 1.266g/cm³
• LogP: 4.68290
• Solubility.: Very slightly soluble in water; very soluble in dichloromethane, in ethanol (96%) and in ether .
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 442.1481770
• Heavy Atom Count: 30
• Complexity: 608

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
• Isomeric SMILES: CC(=O)OCCN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
• Description: Zuclopenthixol acetate is an intermediate-acting derivative of the thioxanthene neuroleptic zuclopenthixol. Clinical effects of zuclopenthixol acetate are reported to last for 3 days following a single injection with a half life of 36 hours.

Technology Process of Zuclopenthixol acetate

There total 2 articles about Zuclopenthixol acetate 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:

acetic anhydride (108-24-7) + 4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-1-piperazineethanol (982-24-1,53772-83-1,53772-84-2) → zuclopenthixol acetate (85721-05-7)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃;

Reference yield:

→ 2-Chlor-9-<3-(4-<2-acetoxy-aethyl>-piperazino)-propyliden>-thioxanthen (17497-30-2,85721-05-7)

Guidance literature:

entspr. 2-Hydroxy-aethyl-Verb., Acetylchlorid;

upstream raw materials:

acetic anhydride

4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-1-piperazineethanol

Refernces