1-(10H-Phenothiazin-2-yl)butan-1-one

Base Information

• Chemical Name: 1-(10H-Phenothiazin-2-yl)butan-1-one
• CAS No.: 25244-91-1
• Molecular Formula: C16H15NOS
• Molecular Weight: 269.367
• Hs Code.: 2934300000
• European Community (EC) Number: 246-755-1
• DSSTox Substance ID: DTXSID40179901
• Nikkaji Number: J236.102G
• Wikidata: Q83050407
• Mol file: 25244-91-1.mol

Synonyms:1-(10H-Phenothiazin-2-yl)butan-1-one;25244-91-1;EINECS 246-755-1;SCHEMBL11378850;DTXSID40179901;AKOS030255160;1-(10H-Phenothiazin-2-yl)-1-butanone

Chemical Property of 1-(10H-Phenothiazin-2-yl)butan-1-one

Chemical Property:

• Vapor Pressure: 4.92E-09mmHg at 25°C
• Boiling Point: 470.8°Cat760mmHg
• Flash Point: 238.5°C
• PSA: 54.40000
• Density: 1.191g/cm³
• LogP: 5.01560
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 269.08743528
• Heavy Atom Count: 19
• Complexity: 333

Purity/Quality:

98%Min ^*data from raw suppliers

3-Butyrylphenothiazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2
• Uses: 3-Butyrylphenothiazine is an intermediate in synthesizing Butaperazine Dihydrochloride (B689885), which is a derivative of Perazine (P285800). It has antipsychotic potencies used as antipsychotic drug.

Technology Process of 1-(10H-Phenothiazin-2-yl)butan-1-one

There total 7 articles about 1-(10H-Phenothiazin-2-yl)butan-1-one 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:

10H-phenothiazine (92-84-2) → 1-(10H-phenothiazin-2-yl)-butan-1-one (25244-91-1)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene / 2 h / Heating

2: AlCl₃ / CS₂ / 6 h / Heating

3: aq. HCl / ethanol

With hydrogenchloride; aluminium trichloride; In carbon disulfide; ethanol; toluene;

DOI:10.1021/jm960814j

Reference yield:

1-(2-Butyryl-phenothiazin-10-yl)-butan-1-one → 1-(10H-phenothiazin-2-yl)-butan-1-one (25244-91-1)

Guidance literature:

With hydrogenchloride; In ethanol;

DOI:10.1021/jm960814j

Reference yield:

N-butanoylphenothiazine (52382-17-9) → 1-(10H-phenothiazin-2-yl)-butan-1-one (25244-91-1)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / CS₂ / 6 h / Heating

2: aq. HCl / ethanol

With hydrogenchloride; aluminium trichloride; In carbon disulfide; ethanol;

DOI:10.1021/jm960814j

upstream raw materials:

2-butyryl-10-propionyl-10H-phenothiazine

10-acetyl-10H-phenothiazine

butyryl bromide

10H-phenothiazine

Downstream raw materials:

1-[10-(3-dimethylamino-propyl)-10H-phenothiazin-2-yl]-butan-1-one

2-Butyryl-10-butyl-phenthiazin

Refernces