10-(3-Chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine

Base Information

• Chemical Name: 10-(3-Chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine
• CAS No.: 1675-46-3
• Molecular Formula: C16H13ClF3NS
• Molecular Weight: 343.8
• Hs Code.: 2934999090
• European Community (EC) Number: 216-821-4
• NSC Number: 217918
• UNII: 4YWG952RBW
• DSSTox Substance ID: DTXSID20168297
• Nikkaji Number: J25.719B
• Wikidata: Q72458119
• Mol file: 1675-46-3.mol

Synonyms:10-(3-Chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine;1675-46-3;10-(3-chloropropyl)-2-(trifluoromethyl)phenothiazine;4YWG952RBW;10-(3-Chloropropyl)-2-trifluoromethylphenothiazine;2-Trifluoromethyl-10-(3-chloropropyl)phenothiazine;EINECS 216-821-4;NSC-217918;10H-Phenothiazine, 10-(3-chloropropyl)-2-(trifluoromethyl)-;C16H13ClF3NS;NSC217918;10-(3-Chloro-propyl)-2-trifluoromethyl-10H-phenothiazine;UNII-4YWG952RBW;SCHEMBL561399;DTXSID20168297;10H-Phenothiazine,10-(3-chloropropyl)-2-(trifluoromethyl)-;C16-H13-Cl-F3-N-S;AKOS002312697;NSC 217918;C(CCCl)N1c2ccccc2Sc3ccc(cc13)C(F)(F)F;FT-0664963;E84839;10-(3-chloropropyl)-2-trifluoromethyl-phenothiazine;2-trifluoromethyl-10-(3-chloropropyl)-phenothiazine;N-(gamma-chloropropyl)-2-trifluoromethyl-phenothiazine;10-(3-Chloropropyl)-2-trifluoromethyl-10H-phenothiazine;3-(2-trifluoromethyl-10H-phenothiazin-10-yl)propyl chloride

Chemical Property of 10-(3-Chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine

Chemical Property:

• Vapor Pressure: 1.6E-07mmHg at 25°C
• Refractive Index: 1.577
• Boiling Point: 427.8 °C at 760 mmHg
• Flash Point: 212.5 °C
• PSA: 28.54000
• Density: 1.345 g/cm³
• LogP: 6.00200
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 343.0409328
• Heavy Atom Count: 22
• Complexity: 379

Purity/Quality:

99%, ^*data from raw suppliers

10-(3-Chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)CCCCl
• Uses: Metabolite of Fluphenazine.

Technology Process of 10-(3-Chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine

There total 5 articles about 10-(3-Chloropropyl)-2-(trifluoromethyl)-10H-phenothiazine 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: 69.8%

2-(trifluoromethyl)-10H-phenothiazine (92-30-8) + 1.3-chlorobromopropane (109-70-6) → 10-(3-chloropropyl)-2-trifluoromethylphenothiazine (1675-46-3)

Guidance literature:

With sodium hydride; potassium carbonate; In tetrahydrofuran; mineral oil; at 65 ℃; Inert atmosphere;

Reference yield: 57.0%

→ 10-(3-chloropropyl)-2-trifluoromethylphenothiazine (1675-46-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

In N,N-dimethyl-formamide; at 0 ℃; for 1h;

Reference yield: 46.9%

2-(trifluoromethyl)-10H-phenothiazine (92-30-8) → 10-(3-chloropropyl)-2-trifluoromethylphenothiazine (1675-46-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 100 ℃; for 24h; Sealed tube; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.ejmech.2018.03.055

upstream raw materials:

3-chloropropyl p-toluenesulfonate

2-(trifluoromethyl)-10H-phenothiazine

1.3-chlorobromopropane

1-iodo-3-chloro-propane

Downstream raw materials:

SQ 10018

10-[3-(octahydro-pyrido[1,2-a]pyrazin-2-yl)-propyl]-2-trifluoromethyl-10H-phenothiazine

10-<3-(N,N-dimethoxycarbonylmethyl)aminopropyl>-2-trifluoromethyl-10H-phenothiazine

10-{3-[4-(2-[1,3]dioxan-2-yl-ethyl)-piperazin-1-yl]-propyl}-2-trifluoromethyl-10H-phenothiazine

Refernces

• 1、 Kang, Seokmin,Lee, Jung Moo,Jeon, Borami,Elkamhawy, Ahmed,Paik, Sora,Hong, Jinpyo,Oh, Soo-Jin,Paek, Sun Ha,Lee, C. Justin,Hassan, Ahmed H.E.,Kang, Sang Soo,Roh, Eun Joo. "Repositioning of the antipsychotic trifluoperazine: Synthesis, biological evaluation and in silico study of trifluoperazine analogs as anti-glioblastoma agents". . p. 186 - 198. Retrieved 2018.
• 2、 -. "PHENOTHIAZINE DERIVATIVES AND USES THEREOF". Paragraph 00356; 00410; 00413. . Retrieved 2019/10/29.
• 3、 Park, Seong-Hyun,Shin, Insu,Park, Sang-Hyun,Kim, Nam Doo,Shin, Injae. "An Inhibitor of the Interaction of Survivin with Smac in Mitochondria Promotes Apoptosis". supporting information. p. 4035 - 4041. Retrieved 2019/08/02.