Ftormetazine

Base Information

• Chemical Name: Ftormetazine
• CAS No.: 33414-30-1
• Molecular Formula: C₂₁H₂₂F₃N₃OS
• Molecular Weight: 421.486
• UNII: 1P441EE1PH
• DSSTox Substance ID: DTXSID1046180
• Wikidata: Q27252703
• NCI Thesaurus Code: C65774
• ChEMBL ID: CHEMBL1620387
• Mol file: 33414-30-1.mol

Synonyms:Ftormetazine;Ftormetazine [INN];33414-30-1;UNII-1P441EE1PH;1P441EE1PH;DTXSID1046180;NCGC00160483-01;10-(3-(4-Methyl-1-piperazinyl)propionyl)-2-(trifluoromethyl)phenothiazine;DTXCID9026180;10-(3-(4-Methyl-1-piperazinyl)propionyl)-2-(trifluoromethyl)phenothiazine.;3-(4-methylpiperazin-1-yl)-1-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-one;CAS-33414-30-1;ChemDiv1_027253;CBDivE_010253;SCHEMBL2107816;CHEMBL1620387;HMS664G17;DOUQJBPSTIKRPH-UHFFFAOYSA-N;Tox21_111845;STK386547;AKOS000547428;Tox21_111845_1;NCGC00160483-02;Q27252703

Chemical Property of Ftormetazine

Chemical Property:

• Vapor Pressure: 1.25E-13mmHg at 25°C
• Boiling Point: 584.1°Cat760mmHg
• Flash Point: 307°C
• PSA: 52.09000
• Density: 1.307g/cm³
• LogP: 4.41300
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 421.14356799
• Heavy Atom Count: 29
• Complexity: 582

Purity/Quality:

99% ^*data from raw suppliers

FTORMETAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

Technology Process of Ftormetazine

There total 3 articles about Ftormetazine 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:

N-(3-trifluoromethylphenyl)aniline (101-23-5) → BAS 01176608 (33414-30-1)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfur, I₂ / 3.5 h / 145 - 155 °C

2: toluene / 3 h / Heating

With iodine; sulfur; In toluene;

DOI:10.1007/BF00772329

Reference yield:

2-(trifluoromethyl)-10H-phenothiazine (92-30-8) → BAS 01176608 (33414-30-1)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 3 h / Heating

In toluene;

DOI:10.1007/BF00772329

Reference yield:

1-methyl-piperazine (109-01-3) + 10-(3-chloro-propionyl)-2-trifluoromethyl-10H-phenothiazine (27312-94-3) → BAS 01176608 (33414-30-1)

Guidance literature:

DOI:10.1007/BF00772329

upstream raw materials:

1-methyl-piperazine

10-(3-chloro-propionyl)-2-trifluoromethyl-10H-phenothiazine

N-(3-trifluoromethylphenyl)aniline

2-(trifluoromethyl)-10H-phenothiazine