4299-07-4

Basic information

• Product Name: 2-Butyl-1,2-benzisothiazolin-3-one
• Synonyms: 2-n-Butyl-benzo[d]isothiazol-3-one;2-BENZISOTHIAZOL-3(2H)-ONE, 2-BUTYL-1;2-Butyl-1,2-benzothiazol-3(2H)-one;n-butyl-1,2-benzisothiazoline-3-one (BBIT);BBIT;1,2-Benzisothiazol-3(2H)-one,2-butyl-;-butyl-1,2-benzisothiazolin-3-one(BBIT);2-Butyl-1,2-benzothiazol-3-one
• CAS NO: 4299-07-4
• Molecular Formula: C11H13NOS
• Molecular Weight: 207.29202
• EINECS: 1312995-182-4
• Product Categories: Preservative;biocide
• Mol File: 4299-07-4.mol
• Article Data: 23

Chemical Properties

• Boiling Point: 332.921 °C at 760 mmHg
• Flash Point: 155.146 °C
• Appearance: /
• Density: 1.177 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -2.10±0.20(Predicted)
• CAS DataBase Reference: 2-Butyl-1,2-benzisothiazolin-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Butyl-1,2-benzisothiazolin-3-one(4299-07-4)
• EPA Substance Registry System: 2-Butyl-1,2-benzisothiazolin-3-one(4299-07-4)

Safety Data

• Hazardous Substances Data: 4299-07-4(Hazardous Substances Data)

Usage

Description

2-Butyl-1,2-benzisothiazolin-3-one is a heterocyclic organic compound characterized by its unique chemical structure and properties. It is known for its potential applications in various industries, particularly as a pharmaceutical intermediate due to its ability to be incorporated into the synthesis of different medicinal compounds.

Uses

Used in Pharmaceutical Industry:
2-Butyl-1,2-benzisothiazolin-3-one is used as a pharmaceutical intermediate for the development of various medicinal compounds. Its unique chemical structure allows it to be a key component in the synthesis of drugs targeting a wide range of health conditions.
As a compound with potential applications in the pharmaceutical industry, 2-Butyl-1,2-benzisothiazolin-3-one plays a crucial role in the development of new drugs and therapies, contributing to advancements in medical research and healthcare.

Upstream product

• 147-93-3 Thiosalicylic acid 
• 1442-03-1 2-methylsulfanyl-benzoyl chloride 
• 3724-10-5 2-(methylthio)benzoic acid 
• 109-69-3 n-Butyl chloride 
• 2634-33-5 1,2-benzisothiazolin-3-one 
• 109-65-9 1-bromo-butane 
• 58249-25-5 sale sodico del 1,2-benzisotiazolin-3-one 
• 62797-97-1 N-butyl-2-chlorobenzamide 
• 5651-35-4 2-phenylbenzo[d]-1,3-oxathiin-4-one 
• 1236311-86-6 2-ethylbenzo[d]-1,3-oxathiin-4-one 1-oxide 
• 109-73-9 N-butylamine 
• 38057-98-6 2-ethylbenzo[d]-1,3-oxathiin-4-one 
• 86212-65-9 2-phenylbenzo[d]-1,3-oxathiin-4-one 1-oxide 
• 349403-39-0 N-butyl 2-bromobenzamide 

Relevant articles and documents

Facile synthesis and in vitro activity of n-substituted 1,2-benzisothiazol-3(2H)-ones against dengue virus NS2BNS3 protease

Several new N-substituted 1,2-benzisothiazol-3(2H)-ones (BITs) were synthesised through a facile synthetic route for testing their anti-dengue protease inhibition. Contrary to the conventional multistep synthesis, we achieved structurally diverse BITs with excellent yields using a two-step, one-pot reaction strategy. All the synthesised compounds were prescreened for drug-like properties using the online Swiss Absorption, Distribution, Metabolism and Elimination (SwissADME) model, indicating their favourable pharmaceutical properties. Thus, the synthesised BITs were tested for inhibitory activity against the recombinant dengue virus serotype-2 (DENV-2) NS2BNS3 protease. Dose–response experiments and computational docking analyses revealed that several BITs bind to the protease in the vicinity of the catalytic triad with IC50 values in the micromolar range. The DENV2 infection assay showed that two BITs, 2-(2-chlorophenyl)benzo[d]isothiazol-3(2H)-one and 2-(2,6-dichlorophenyl)benzo[d]isothiazol-3(2H)-one, could suppress DENV replication and virus infectivity. These results indicate the potential of BITs for developing new anti-dengue therapeutics.

Method for synthesizing 2-butyl-1, 2-benzisothiazoline-3-ketone

The invention discloses a method for synthesizing 2-butyl-1, 2-benzisothiazoline-3-ketone. The method comprises the following steps: reacting n-butylamine with a chlorobenzene solution of triethylamine 25% o-methylthiobenzoyl chloride to obtain a mixed solution of N-butyl o-methylthiobenzamide, and filtering the mixed solution of N-butyl o-methylthiobenzamide, and obtaining chlorobenzene solutionand solids of N-butyl o-methylthiobenzamide, reacting the solid with liquid caustic soda to obtain triethylamine, reacting the chlorobenzene solution of N-butyl o-methylthiobenzamide with water, and carrying out reduced pressure distillation to separate chlorobenzene. The method has the advantages of simple process steps, low cost, high yield, recyclability and the like.

Novel synthesis method of N-substituted benzisothiazoline-3-ketone derivative

The invention discloses a novel synthesis method of an N-substituted benzisothiazoline-3-ketone derivative. The preparation method comprises the following steps: by taking a dithiosalicylic acid derivative and sulfur as raw materials, introducing chlorine or bromine to obtain a halogenated thiobenzoyl halide derivative, then preferably dropwise adding a mixed solution of primary amine and tertiaryamine, and carrying out reaction and ring closing to obtain the N-substituted benzisothiazole-3-ketone. The method disclosed by the invention is simple in process, safe and controllable, and easy forindustrial large-scale production.