Aceprometazine

Base Information

• Chemical Name: Aceprometazine
• CAS No.: 13461-01-3
• Molecular Formula: C19H22 N2 O S
• Molecular Weight: 326.462
• Hs Code.: 2934300000
• European Community (EC) Number: 236-661-9
• UNII: 984N9YTM4Y
• DSSTox Substance ID: DTXSID00864407
• Nikkaji Number: J269.443C
• Wikipedia: Aceprometazine
• Wikidata: Q2823821
• NCI Thesaurus Code: C72678
• Pharos Ligand ID: KXH9QNJH4G8F
• Metabolomics Workbench ID: 146260
• ChEMBL ID: CHEMBL2104054
• Mol file: 13461-01-3.mol

Synonyms:aceprometazine;aceprometazine maleate

Chemical Property of Aceprometazine

Chemical Property:

• Vapor Pressure: 9.4E-10mmHg at 25°C
• Refractive Index: 1.5950 (estimate)
• Boiling Point: 490.1°Cat760mmHg
• PKA: 8.93±0.50(Predicted)
• Flash Point: 250.2°C
• PSA: 48.85000
• Density: 1.154g/cm³
• LogP: 4.50700
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 326.14528450
• Heavy Atom Count: 23
• Complexity: 428

Purity/Quality:

98%Min ^*data from raw suppliers

Acepromethazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)C)N(C)C
• Uses: Acepromethazine is a phenothiazine derivative that is often used in combination with Meprobamate (M227750) for the treatment of sleep disorders.
• Therapeutic Function: Neuroleptic, Antitussive

Technology Process of Aceprometazine

There total 3 articles about Aceprometazine 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:

→ 1-[10-(2-dimethylamino-propyl)-10H-phenothiazin-2-yl]-ethanone (13461-01-3)

Guidance literature:

3-Acetyl-phenothiazin-10-carbonsaeure-(β-dimethylamino-isopropylester) (160-200gradC);

Reference yield:

2-acetyl-phenothiazine-10-carbonyl chloride (74240-96-3) → 1-[10-(2-dimethylamino-propyl)-10H-phenothiazin-2-yl]-ethanone (13461-01-3)

Guidance literature:

Erhitzen des Reaktionsprodukts;

Reference yield:

(2-chloro-1-methyl-ethyl)-dimethyl-amine (53309-35-6) → 1-[10-(2-dimethylamino-propyl)-10H-phenothiazin-2-yl]-ethanone (13461-01-3)

Guidance literature:

With toluene;

upstream raw materials:

2-acetyl-phenothiazine-10-carbonyl chloride

(2-chloro-1-methyl-ethyl)-dimethyl-amine