Butylbenisothiazolene

Base Information

• Chemical Name: Butylbenisothiazolene
• CAS No.: 7499-96-9
• Molecular Formula: C11H13NO3S
• Molecular Weight: 239.295
• Mol file: 7499-96-9.mol

Synonyms:butyl saccharin;

Chemical Property of Butylbenisothiazolene

Chemical Property:

• Vapor Pressure: 2.26E-06mmHg at 25°C
• Melting Point: 39.5-40.2 °C
• Boiling Point: 392.6°Cat760mmHg
• PKA: -12.87±0.20(Predicted)
• Flash Point: 191.2°C
• PSA: 62.83000
• Density: 1.305g/cm³
• LogP: 2.64990

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Butylbenisothiazolene

There total 7 articles about Butylbenisothiazolene 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: 82.0%

n-Butyl chloride (109-69-3) + N-(hydroxymethyl)saccharin (13947-20-1) → 2-n-butyl-1,1-dioxo-1,2-dihydro-1λ6-benzo[d]isothiazo-3-one (7499-96-9)

Guidance literature:

With potassium carbonate; In acetone; for 5h; Heating;

Reference yield: 68.0%

1-bromo-butane (109-65-9) + saccharin sodium salt (128-44-9) → 2-n-butyl-1,1-dioxo-1,2-dihydro-1λ6-benzo[d]isothiazo-3-one (7499-96-9)

Guidance literature:

In N,N-dimethyl-formamide; at 125 ℃; for 6.5h;

DOI:10.1021/jm00356a023

Reference yield: 64.0%

dibutyl ether (142-96-1) + ethyl 2-(aminosulfonyl)benzoate (59777-72-9) → 2-n-butyl-1,1-dioxo-1,2-dihydro-1λ6-benzo[d]isothiazo-3-one (7499-96-9)

Guidance literature:

With titanium tetrachloride; In 1,1,2,2-tetrachloroethane; at 120 ℃; for 48h; sealed tube;

DOI:10.1055/s-0031-1290332

upstream raw materials:

1-bromo-butane

saccharin sodium salt

n-Butyl chloride

N-(hydroxymethyl)saccharin

Refernces

• 1、 Mi, Pengbing,Liao, Peiqiu,Tu, Tao,Bi, Xihe. "Decarbonylative C-C bond-forming reactions of saccharins by nickel catalysis: Homocoupling and cycloaddition". supporting information. p. 5332 - 5336. Retrieved 2015/03/30.
• 2、 Chen, Jiayan,Dang, Ling,Li, Qiang,Ye, Yong,Fu, Shaomin,Zeng, Wei. "TiCl4-mediated direct N-alkylation of sulfonamides with inactive ethers". supporting information; experimental part. p. 595 - 600. Retrieved 2012/03/27.