10-Hexylphenothiazine

Base Information

• Chemical Name: 10-Hexylphenothiazine
• CAS No.: 73025-93-1
• Molecular Formula: C18H21NS
• Molecular Weight: 283.43100
• European Community (EC) Number: 834-694-9
• DSSTox Substance ID: DTXSID60597007
• Nikkaji Number: J1.166.762G
• Wikidata: Q82492460
• Mol file: 73025-93-1.mol

Synonyms:10-HEXYLPHENOTHIAZINE;73025-93-1;10-Hexyl-10H-phenothiazine;10H-Phenothiazine, 10-hexyl-;10-hexyl-phenothiazine;SCHEMBL7397164;DTXSID60597007;YCA02593;MFCD30531810;BS-44124;H1608;T72884

Chemical Property of 10-Hexylphenothiazine

Chemical Property:

• Refractive Index: 1.6200 to 1.6240
• PSA: 28.54000
• LogP: 5.93460
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 283.13947085
• Heavy Atom Count: 20
• Complexity: 271

Purity/Quality:

98.5% ^*data from raw suppliers

10-Hexylphenothiazine >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN1C2=CC=CC=C2SC3=CC=CC=C31

Technology Process of 10-Hexylphenothiazine

There total 2 articles about 10-Hexylphenothiazine 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: 98.0%

10H-phenothiazine (92-84-2) + 1-bromo-hexane (111-25-1) → 10-hexyl-10H-phenothiazine (73025-93-1)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 66 ℃; for 3h;

DOI:10.1002/chem.200701341

Reference yield:

10H-phenothiazine (92-84-2) + tert-butyl methyl ether (1634-04-4) + 1-bromo-hexane (111-25-1) → 10-hexyl-10H-phenothiazine (73025-93-1)

Guidance literature:

In water; N,N-dimethyl-formamide;

Reference yield: 50.0%

diethyl 2-((2-(bromomethyl)-1-(phenylsulfonyl)-1H-indol-3-yl)methylene)malonate (1072096-68-4) + 10-hexyl-10H-phenothiazine (73025-93-1) → C41H42N2O6S2 (1137726-51-2)

Guidance literature:

diethyl 2-((2-(bromomethyl)-1-(phenylsulfonyl)-1H-indol-3-yl)methylene)malonate; 10-hexyl-10H-phenothiazine; With zinc dibromide; In 1,2-dichloro-ethane; at 20 ℃; for 1h; Inert atmosphere;

In 1,2-dichloro-ethane; at 80 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/ejoc.200801018

upstream raw materials:

10H-phenothiazine

1-bromo-hexane

tert-butyl methyl ether

Downstream raw materials:

3,7-dibromo-10-hexyl-10H-phenothiazine

C₄₁H₄₂N₂O₆S₂

2-[(10-hexyl-7-p-tolyl-10H-phenothiazine-3-yl)methylene]-1H-indene-1,3(2H)-dione

10-hexyl-7-p-tolyl-10H-phenothiazine-3-carbaldehyde

Refernces

• 1、 Sun, Wan,Sun, Pingping,Zhu, Yingzhong,Wang, Hui,Li, Shengli,Wu, Jieying,Tian, Yupeng. "Syntheses, crystal structures, nonlinear optical properties and cis-trans isomerization of functionalized sulfur-terminal [Zn(II) and Cd?(II)] complexes based on phenothiazine-2,2′:6′,2″-terpyridine conjugated ligands". . p. 110 - 119. Retrieved 2015.
• 2、 Hua, Yong,Chang, Shuai,He, Jian,Zhang, Caishun,Zhao, Jianzhang,Chen, Tao,Wong, Wai-Yeung,Wong, Wai-Kwok,Zhu, Xunjin. "Molecular engineering of simple phenothiazine-based dyes to modulate dye aggregation, charge recombination, and dye regeneration in highly efficient dye-sensitized solar cells". . p. 6300 - 6308. Retrieved 2014.
• 3、 Karmegam, Muthu Vengaian,Karuppannan, Sekar,Christopher Leslee, Denzil Britto,Subramanian, Singaravadivel,Gandhi, Sivaraman. "Phenothiazine–rhodamine-based colorimetric and fluorogenic ‘turn-on' sensor for Zn2+ and bioimaging studies in live cells". . p. 90 - 97. Retrieved 2020.
• 4、 Kim, Myeong Seok,Cho, Min Ju,Choi, Young Cheol,Ahn, Kwang-Soon,Choi, Dong Hoon,Kim, Kyungkon,Kim, Jae Hong. "Enhancement of photovoltaic performance in dye-sensitized solar cells fabricated with dendritic photosensitizer containing site-isolated chromophores". . p. 986 - 994. Retrieved 2013.
• 5、 Huang, Bing,Li, Jun,Jiang, Zuoquan,Qin, Jingui,Yu, Gui,Liu, Yunqi. "New series of light-emitting polyquinolines containing 9,9′-spirobifluorene Units". . p. 6915 - 6922. Retrieved 2005.
• 6、 Ahamed, J. Irshad,Valan, Mariamichael F.,Pandurengan, Kamalarajan,Agastian, Paul,Venkatadri, Babu,Rameshkumar, Marimuthu R.,Narendran, Kandaswamy. "A novel method for the synthesis and characterization of 10-hexyl-3-(1-hexyl-4, 5-diphenyl-1H-imidazol-2-yl)-10H-phenothiazine: DFT computational, in vitro anticancer and in silico molecular docking studies". . p. 759 - 794. Retrieved 2021.
• 7、 -. "Preparation method and application of nonlinear compound with D-pi-A structure". Paragraph 0042; 0054; 0057; 0085; 0088. . Retrieved 2021/06/26.