Ketone, methyl 10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-YL

Base Information

• Chemical Name: Ketone, methyl 10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-YL
• CAS No.: 1053-74-3
• Molecular Formula: C₂₂H₂₇N₃OS
• Molecular Weight: 381.542
• Hs Code.: 2934300000
• DSSTox Substance ID: DTXSID40147064
• Nikkaji Number: J71.233G
• Wikidata: Q83012082
• Mol file: 1053-74-3.mol

Synonyms:1053-74-3;KETONE, METHYL 10-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)PHENOTHIAZIN-2-YL;BRN 0766914;3-Acetyl-10-(3'N-methyl-piperazino-N'-propyl)phenothiazin;1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]ethanone;Methyl 10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl ketone;C22H27N3OS;SCHEMBL141601;DTXSID40147064;LS-87289;2-Acetyl-10-[3-(4-methylpiperazino)propyl]-10H-phenothiazine;1-(10-(3-(4-methylpiperazin-1-yl)propyl)-10h-phenothiazin-2-yl) ethanone

Chemical Property of Ketone, methyl 10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-YL

Chemical Property:

• Vapor Pressure: 2.39E-12mmHg at 25°C
• Refractive Index: 1.6740 (estimate)
• Boiling Point: 554.8°Cat760mmHg
• Flash Point: 289.3°C
• PSA: 52.09000
• Density: 1.167g/cm³
• LogP: 4.07020
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 381.18748367
• Heavy Atom Count: 27
• Complexity: 508

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C

Technology Process of Ketone, methyl 10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-YL

There total 4 articles about Ketone, methyl 10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-YL 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-methyl-piperazine (109-01-3) + 3-(2-acetyl-10H-phenothiazin-10-yl)-propyl bromide (134318-13-1) → 2-acetil-10-<3'-(4''-metilpiperazin-1''-il)>propilfenotiazina (1053-74-3)

Guidance literature:

1-methyl-piperazine; With sodium hydride; In dimethyl sulfoxide; at 20 ℃; for 1h;

3-(2-acetyl-10H-phenothiazin-10-yl)-propyl bromide; In dimethyl sulfoxide; at 20 ℃; for 12h;

DOI:10.1002/ardp.200800115

Reference yield:

2-acetylphenothiazine (6631-94-3) + 3-(4-methyl-1-piperazinyl)propyl chloride dihydrochloride (2031-23-4,77270-74-7) → 2-acetil-10-<3'-(4''-metilpiperazin-1''-il)>propilfenotiazina (1053-74-3)

Guidance literature:

With sodium hydroxide; In toluene; for 15h; Heating;

Reference yield:

3-(N-methylpiperazinyl)propyl chloride (104-16-5) + 2-acetylphenothiazine (6631-94-3) → 2-acetil-10-<3'-(4''-metilpiperazin-1''-il)>propilfenotiazina (1053-74-3)

Guidance literature:

Multistep reaction; (i) TsOH, ethane-1,2-diol, toluene, (ii) NaNH₂, (iii) /BRN= 106074/, (iv) aq. HCl;

DOI:10.1021/jo01063a040

upstream raw materials:

3-(N-methylpiperazinyl)propyl chloride

2-acetylphenothiazine

3-(4-methyl-1-piperazinyl)propyl chloride dihydrochloride

1-methyl-piperazine

Downstream raw materials:

2-acetyl-10-[3-(4-methylpiperazino)propyl]phenothiazin bis-(hydrogen maleate)