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105356-57-8

4-Thien-2-yl-2,4-dioxobutanoic acid is a chemical compound characterized by the molecular formula C8H8O4S. It is a derivative of thien-2-yl and 2,4-dioxobutanoic acid, known for its potential applications in pharmaceutical and organic chemistry. This white to off-white solid has a molecular weight of 184.21 g/mol and a melting point of 122-124°C. As a thien-2-yl derivative of alpha-ketoglutaric acid, it plays a role as an intermediate in the citric acid cycle, and is utilized as a building block in the synthesis of various pharmaceutical compounds and organic molecules. Further research and testing are necessary to fully explore its potential uses and properties.

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  • 105356-57-8 Structure

  • Basic information

    1. Product Name: 4-THIEN-2-YL-2,4-DIOXOBUTANOIC ACID
    2. Synonyms: 4-THIEN-2-YL-2,4-DIOXOBUTANOIC ACID;2,4-Dioxo-4-(thien-2-yl)butanoic acid;2,4-dioxo-4-(thiophen-2-yl)butanoic acid
    3. CAS NO:105356-57-8
    4. Molecular Formula: C8H6O4S
    5. Molecular Weight: 198.2
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 105356-57-8.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 399.2 °C at 760 mmHg
    3. Flash Point: 195.2 °C
    4. Appearance: /
    5. Density: 1.465 g/cm3
    6. Vapor Pressure: 4.34E-07mmHg at 25°C
    7. Refractive Index: 1.588
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 2.07±0.54(Predicted)
    11. CAS DataBase Reference: 4-THIEN-2-YL-2,4-DIOXOBUTANOIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-THIEN-2-YL-2,4-DIOXOBUTANOIC ACID(105356-57-8)
    13. EPA Substance Registry System: 4-THIEN-2-YL-2,4-DIOXOBUTANOIC ACID(105356-57-8)

  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 105356-57-8(Hazardous Substances Data)

105356-57-8 Usage

Uses

Used in Pharmaceutical Industry:
4-Thien-2-yl-2,4-dioxobutanoic acid is used as a building block for the synthesis of pharmaceutical compounds due to its unique chemical structure and reactivity. Its presence in the citric acid cycle suggests potential roles in metabolic processes, which could be leveraged for the development of new drugs.
Used in Organic Chemistry:
In the field of organic chemistry, 4-Thien-2-yl-2,4-dioxobutanoic acid is utilized as a key intermediate for the synthesis of various organic molecules. Its versatility in chemical reactions allows for the creation of a wide range of compounds with different applications, from materials science to specialty chemicals.
Further research is required to explore additional applications and to understand the full scope of its properties and potential uses in other industries.

Check Digit Verification of cas no

The CAS Registry Mumber 105356-57-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,5,3,5 and 6 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 105356-57:
(8*1)+(7*0)+(6*5)+(5*3)+(4*5)+(3*6)+(2*5)+(1*7)=108
108 % 10 = 8
So 105356-57-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H6O4S/c9-5(4-6(10)8(11)12)7-2-1-3-13-7/h1-3H,4H2,(H,11,12)

105356-57-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4-dioxo-4-thiophen-2-ylbutanoic acid

1.2 Other means of identification

Product number -
Other names 4-Thien-2-yl-2,4-dioxobutanoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:105356-57-8 SDS

105356-57-8Downstream Products

105356-57-8Relevant articles and documents

The identification and optimization of 2,4-diketobutyric acids as flap endonuclease 1 inhibitors

Tumey, L. Nathan,Huck, Bayard,Gleason, Elizabeth,Wang, Jianmin,Silver, Daniel,Brunden, Kurt,Boozer, Sherry,Rundlett, Stephen,Sherf, Bruce,Murphy, Steven,Bailey, Andrew,Dent, Tom,Leventhal, Christina,Harrington, John,Bennani, Youssef L.

, p. 4915 - 4918 (2007/10/03)

Flap endonuclease 1 (FEN1) is a key enzyme involved in base excision repair (BER), a primary pathway utilized by mammalian cells to repair DNA damage. In this report, we describe the identification and SAR of a series of 2,4-diketobutyric acid FEN1 inhibi

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