Benzothiazole, 2-octyl-

Base Information

• Chemical Name: Benzothiazole, 2-octyl-
• CAS No.: 6634-55-5
• Molecular Formula: C15H21NS
• Molecular Weight: 247.3989
• Mol file: 6634-55-5.mol

Synonyms:2-octyl-1,2-benzisothiazol-3-one;2-octyl-benzothiazole;N-octylbenzisothiazolinone;

Chemical Property of Benzothiazole, 2-octyl-

Chemical Property:

• Vapor Pressure: 9.81E-05mmHg at 25°C
• Boiling Point: 348.9°C at 760 mmHg
• Flash Point: 155.6°C
• PSA: 41.13000
• Density: 1.039g/cm³
• LogP: 5.19930

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzothiazole, 2-octyl-

There total 10 articles about Benzothiazole, 2-octyl- 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: 91.0%

1,3-Benzothiazole (95-16-9) + 1-Iodooctane (629-27-6) → 2-octylbenzo[d]thiazole (6634-55-5)

Guidance literature:

With copper(l) iodide; {κ^P,κ^C,κ^P-(2-ⁱPr₂POCH₂-C₆H₃-6-CH₂OPⁱPr₂)}NiBr; lithium tert-butoxide; In 1,4-dioxane; at 100 ℃; for 24h; Glovebox; Inert atmosphere;

DOI:10.1007/s12039-017-1338-7

Reference yield: 91.0%

1,3-Benzothiazole (95-16-9) + 1-bromo-octane (111-83-1) → 2-octylbenzo[d]thiazole (6634-55-5)

Guidance literature:

With (N¹,N¹-dimethyl-N²-(quinolin-8-yl)benzene-1,2-diamino)nickel(II) chloride; sodium iodide; lithium tert-butoxide; In 1,4-dioxane; dodecane; for 16h; Reagent/catalyst; Solvent; Glovebox; Inert atmosphere; Heating;

DOI:10.1021/acs.organomet.6b00201

Reference yield: 80.0%

2-bromo-1,3-benzothiazole (2516-40-7) + oct-1-ene (111-66-0,25068-25-1) → 2-octylbenzo[d]thiazole (6634-55-5)

Guidance literature:

With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; sodium formate; mesna; In dimethyl sulfoxide; acetonitrile; at 100 ℃; for 16h; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1021/jacs.1c04427

upstream raw materials:

nonanoic acid 2-methylsulfanyl-anilide

1,3-Benzothiazole

n-chlorooctane

1-Iodooctane

Refernces

• 1、 Hendy, Cecilia M.,Smith, Gavin C.,Xu, Zihao,Lian, Tianquan,Jui, Nathan T.. "Radical Chain Reduction via Carbon Dioxide Radical Anion (CO2?-)". supporting information. p. 8987 - 8992. Retrieved 2021/07/01.
• 2、 Patel, Ulhas N.,Jain, Shailja,Pandey, Dilip K.,Gonnade, Rajesh G.,Vanka, Kumar,Punji, Benudhar. "Mechanistic Aspects of Pincer Nickel(II)-Catalyzed C-H Bond Alkylation of Azoles with Alkyl Halides". supporting information. p. 1017 - 1025. Retrieved 2018/03/30.