22876-20-6

Basic information

• Product Name: 6-Chloro-2-benzoxazolethiol
• Synonyms: 2-MERCAPTO-6-CHLOROBENZOXAZOLE;6-CHLORO-BENZOOXAZOLE-2-THIOL;6-CHLORO-2-BENZOXAZOLETHIOL;6-CHLORO-2-MERCAPTOBENZOXAZOLE;6-chlorobenzoxazole-2(3H)-thione;6-Chloro-3H-benzoxazole-2-thione;6-Chlorbenzoxazol-2(3H)-thion;6-CHLORO-2-BENZOXAZOLETHIOL 99%
• CAS NO: 22876-20-6
• Molecular Formula: C₇H₄ClNOS
• Molecular Weight: 185.63
• EINECS: 245-282-8
• Product Categories: Oxazole&Isoxazole
• Mol File: 22876-20-6.mol
• Article Data: 21

Chemical Properties

• Melting Point: 229-232 °C
• Boiling Point: 288.898 °C at 760 mmHg
• Flash Point: 128.521 °C
• Appearance: Yellow to beige/Crystalline Powder or Needles
• Density: 1.2291 (rough estimate)
• Vapor Pressure: 0.00227mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• PKA: 10.23±0.20(Predicted)
• CAS DataBase Reference: 6-Chloro-2-benzoxazolethiol(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Chloro-2-benzoxazolethiol(22876-20-6)
• EPA Substance Registry System: 6-Chloro-2-benzoxazolethiol(22876-20-6)

Safety Data

• Safety Statements: 24/25
• HazardClass: IRRITANT
• Hazardous Substances Data: 22876-20-6(Hazardous Substances Data)

Usage

Description

6-Chloro-2-benzoxazolethiol is a chemical compound characterized by its yellow to beige crystalline powder or needle-like appearance. It is a derivative of benzoxazole with a chlorine atom at the 6th position and a thiol group attached to the 2nd position. 6-Chloro-2-benzoxazolethiol is known for its unique chemical properties and potential applications in various industries.

Uses

Used in Pharmaceutical Industry:
6-Chloro-2-benzoxazolethiol is used as a reactant in the synthesis of disulfide bond-containing ajoene analogs. These analogs serve as quorum sensing inhibitors, which are crucial in the development of new antimicrobial agents. By inhibiting quorum sensing, these analogs can disrupt bacterial communication and prevent the formation of biofilms, thus reducing the spread of infections and enhancing the effectiveness of existing treatments.
Used in Chemical Synthesis:
As a versatile chemical compound, 6-Chloro-2-benzoxazolethiol can be employed in various chemical synthesis processes. Its unique structure allows it to be a valuable building block for the creation of new molecules with potential applications in different fields, such as materials science, pharmaceuticals, and agrochemicals.
Used in Research and Development:
Due to its unique chemical properties, 6-Chloro-2-benzoxazolethiol can be utilized in research and development for the exploration of new chemical reactions and the synthesis of novel compounds. It can serve as a starting material or an intermediate in the development of new drugs, materials, or other chemical products with potential commercial applications.

InChI:InChI=1/C7H4ClNOS/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H,9,11)

Upstream product

• 75-15-0 carbon disulfide 
• 28443-50-7 2-amino-5-chlorophenol 
• 19932-84-4 6-chlorobenzo[d]oxazol-2(3H)-one 
• 16323-09-4 N-(4-chloro-2-hydroxyphenyl)acetamide 
• 5910-69-0 acetic acid-(4-amino-2-hydroxy-anilide) 
• 140-89-6 potassium ethyl xanthogenate 
• 137-26-8 Thiram 
• 128-04-1 sodium dimethyldithiocarbamate 
• 95-55-6 2-amino-phenol 
• 59-49-4 2-Benzoxazolinone 

Downstream Products

• 3621-82-7 2,6-dichloro-1,3-benzoxazole 
• 819075-95-1 (S)-3-[(S)-2-(6-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-propionylamino]-4-(5-fluoro-2,3-dihydro-indol-1-yl)-butyric acid 
• 819075-99-5 (S)-3-[(S)-2-(6-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-propionylamino]-4-(5-fluoro-2,3-dihydro-indol-1-yl)-butyric acid tert-butyl ester 
• 291541-06-5 2-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4-hydroxy-5-[(6-chloro-2-benzoxazolyl)thio]-pentanoic acid 
• 1218936-00-5 C₃₇H₃₇ClNO₅PS 
• 1218935-98-8 C₃₁H₂₅ClNO₅PS 
• 1218935-99-9 C₃₃H₂₉ClNO₅PS 
• 1374820-07-1 C₁₇H₁₆Cl₃N₃O 
• 52112-68-2 6-chloro-1,3-benzoxazol-2-amine 
• 28443-50-7 2-amino-5-chlorophenol 

Relevant articles and documents

High-efficiency low-pollution fenoxaprop-p-ethyl production process

The invention discloses a high-efficiency and low-pollution production process of fenoxaprop-p-ethyl. The production process comprises the following specific steps: (1) preparing fenoxaprop-p-ethyl; S1, preparing sulfydryl-6-chlorobenzoxazole; S2, preparing 2,6-dichlorobenzoxazole; and S3, synthesizing the fenoxaprop-p-ethyl. According to the fenoxaprop-p-ethyl, fenoxaprop-p-ethyl is finally synthesized through preparation of sulfydryl-6-chlorobenzoxazole and preparation of 2,6-dichlorobenzoxazole, the technology is simple, operation is convenient, efficiency is high, the speed is high, the production cost is saved, the income is increased, and filter residues generated in the production process can be safely treated through the technology; the waste gas enters a waste gas treatment facility for treatment and is discharged after reaching the standard; and the wastewater is desalted, removed salt is washed and dried by methanol to serve as a byproduct, and evaporated condensate water enters a factory sewage treatment station to be treated, so that the aim of protecting the environment is fulfilled, and the functions of high efficiency and low pollution are achieved.

HMOX1 inducers

The present invention is related to compounds of structure (I) as heme oxygenase 1 (HMOX 1) inducers. The present invention is also related a method of controlling the activity or the amount, or both the activity and the amount, of heme-oxygenase 1 in a mammalian subject. The definitions of the variables are provided herein.

Method for preparing 2-chlorobenzoxazole and 2,6-dichlorobenzoxazole from o-aminophenol by taking solid triphosgene as chlorinating agent

The invention provides a method for preparing 2-chlorobenzoxazole and 2,6-dichlorobenzoxazole from o-aminophenol by taking solid triphosgene as a chlorinating agent. The method comprises the followingsteps: step 1, respectively preparing 2-benzoxazolone and 2-mercapto benzoxazole by taking the o-aminophenol as a raw material; step 2, preparing the 2-chlorobenzoxazole by taking the 2-mercapto benzoxazole as a raw material and the solid triphosgene as the chlorinating agent; step 3, preparing 6-chlorobenzoxazolone by taking TCCA and the 2-benzoxazolone as raw materials; step 4, preparing 2-mercapto-6-chlorobenzoxazole; step 5, preparing the 2,6-dichlorobenzoxazole by taking the 2-mercapto-6-chlorobenzoxazole as a raw material and the solid triphosgene as the chlorinating agent. The method provided by the invention is a brand-new preparation method, which has the advantages of less corrosion to equipment, high yield, less reaction time, mild reaction conditions, less by-products and reduced environmental pollution.