10047-28-6

Basic information

• Product Name: THIOGLYCOLIC ACID N-BUTYL ESTER
• Synonyms: THIOGLYCOLIC ACID N-BUTYL ESTER;N-BUTYL THIOGLYCOLATE;N-BUTYL MERCAPTOACETATE;butylmercaptoacetate;butylthioglycolate;mercapto-aceticacibutylester;MERCAPTOACETIC ACID N-BUTYL ESTER;n-Butyl thioglycolate~Mercaptoacetic acid n-butyl ester
• CAS NO: 10047-28-6
• Molecular Formula: C₆H₁₂O₂S
• Molecular Weight: 148.22
• EINECS: 233-156-5
• Mol File: 10047-28-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 194°C
• Flash Point: 65°C
• Appearance: /
• Density: 1,03 g/cm3
• Vapor Pressure: 0.024mmHg at 25°C
• Refractive Index: n20/D 1.455(lit.)
• PKA: 7.97±0.10(Predicted)
• CAS DataBase Reference: THIOGLYCOLIC ACID N-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: THIOGLYCOLIC ACID N-BUTYL ESTER(10047-28-6)
• EPA Substance Registry System: THIOGLYCOLIC ACID N-BUTYL ESTER(10047-28-6)

Safety Data

• Hazard Codes: T
• Statements: 20/21/22-23/24/25
• Safety Statements: 23-36/37/39-45-27
• RIDADR: 2810
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 10047-28-6(Hazardous Substances Data)

Usage

Description

THIOGLYCOLIC ACID N-BUTYL ESTER, also known as Butyl mercaptoacetate, is an organic compound that is characterized by its unique chemical structure and properties. It is a derivative of thioglycolic acid, with a butyl group attached to the ester functional group. THIOGLYCOLIC ACID N-BUTYL ESTER is known for its reactivity and versatility in various chemical reactions and applications.

Uses

Used in Pharmaceutical Industry:
THIOGLYCOLIC ACID N-BUTYL ESTER is used as a synthetic intermediate for the production of various pharmaceutical compounds. Its unique chemical structure allows it to be a key component in the synthesis of drugs with specific therapeutic properties.
Used in Chemical Synthesis:
In the field of chemical synthesis, THIOGLYCOLIC ACID N-BUTYL ESTER is used as a reagent in various organic reactions. Its ability to participate in a wide range of reactions makes it a valuable tool for chemists in creating new compounds with desired properties.
Used in Cu-Catalyzed Denitrogenative Transannulation:
THIOGLYCOLIC ACID N-BUTYL ESTER is used as a reactant in the Cu-Catalyzed Denitrogenative Transannulation of 3-Aminoindazoles to assemble 1-Aminoisoquinolines and 3-Aminobenzothiophenes. This application highlights its importance in the synthesis of complex organic molecules, which can be further utilized in various industries, including pharmaceuticals and materials science.

InChI:InChI=1/C6H12O2S/c1-2-3-4-9-6(8)5-7/h7H,2-5H2,1H3

Upstream product

• 68-11-1 mercaptoacetic acid 
• 71-36-3 butan-1-ol 

Downstream Products

• 63860-16-2 Butylmercaptoacetatmandelat 
• 60785-61-7 Cyclohexylsulfanyl-acetic acid butyl ester 
• 93833-36-4 Co(NC₅H₂(C₆H₅))4(HSCH₂COOC₄H₉) 
• 99268-43-6 Cr(C₄₄H₂₈N₄)(SCH₂COOC₄H₉)2^(1-) 

Relevant articles and documents

The reaction of condensation of furfural with mercaptoacetic acid esters

The condensation reaction of furfural with various mercaptoacetic acid esters was studied. The reaction products were tested for their corrosion protective properties in M-16 cylinder oil used for marine diesel engines. It was found that the resulting 2-d