31166-29-7

Basic information

• Product Name: 4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID
• Synonyms: 4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID;Rivaroxaban Related Impurity 1;Rivaroxaban Impurity 18;Rivaroxaban Impurity P
• CAS NO: 31166-29-7
• Molecular Formula: C₅H₂Cl₂O₂S
• Molecular Weight: 197.04
• EINECS: 1312995-182-4
• Mol File: 31166-29-7.mol
• Article Data: 4

Chemical Properties

• Melting Point: 196-197 °C
• Boiling Point: 315.3 °C at 760 mmHg
• Flash Point: 144.5 °C
• Appearance: /
• Density: 1.708 g/cm³
• Vapor Pressure: 0.000186mmHg at 25°C
• Refractive Index: 1.636
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: DMSO, Methanol (Slightly)
• PKA: 3.31±0.10(Predicted)
• CAS DataBase Reference: 4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID(31166-29-7)
• EPA Substance Registry System: 4,5-DICHLOROTHIOPHENE-2-CARBOXYLIC ACID(31166-29-7)

Safety Data

• Statements: 36/37/38-20/22
• Safety Statements: 20-26-35
• Hazardous Substances Data: 31166-29-7(Hazardous Substances Data)

Usage

Uses

4,5-Dichlorothiophene-2-carboxylic Acid is used in the preparation of compounds that have therapeutic BACE1 and BACE2 inhibitors which are used for the treatment of Alzheimer’s disease, type 2 diabetes and other metabolic disorders.

InChI:InChI=1/C5H2Cl2O2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)

Upstream product

• 130562-97-9 4,5-dichloro-2-thiophenecarboxylic acid ethyl ester 
• 527-72-0 2-thiophenylcarboxylic acid 
• 89281-29-8 2,3-dichlorothiophene-5-carboxylic acid methyl ester 
• 17249-79-5 2,3-Dichlorothiophene 
• 124-38-9 carbon dioxide 
• 122065-05-8 2,3-dichloro-5-chloromethyl-thiophene 
• 88-15-3 2-Acetylthiophene 
• 7782-50-5 chlorine 
• 64-19-7 acetic acid 
• 6324-10-3 4,5-Dibromo-thiophene-2-carboxylic acid 
• 57681-59-1 1-(4,5-Dichlor-2-thienyl)-ethanon 
• 67482-49-9 4,5-dichlor-2-thiophenecarboxaldehyde 

Downstream Products

• 89281-29-8 2,3-dichlorothiophene-5-carboxylic acid methyl ester 
• 17249-79-5 2,3-Dichlorothiophene 
• 1770812-37-7 (S)-4,5-dichloro-N-[[2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]-2-thiophenecarboxamide 

Relevant articles and documents

An efficient and facile process for synthesis of 4,5-dichlorothiophene-2-carboxylic acid using N-chlorosuccinimide

4,5-Dichlorothiophene-2-carboxylic acid was obtained from the starting material thiophene-2-carboxylic acid via esterification, chlorination and hydrolysis. The chlorination reaction was achieved using N.chlorosuccinimide as the chlorinating agent with high selectivity and yield. The advantages of this synthesis route were mild reaction conditions, simplified operational procedure and the raw materials were easy to obtain. It could be applied to industrial production.

Phosphorylamides, their preparation and use

A phosphorylamide derivative represented by the general formula (I): STR1 wherein R represents an amino group that may be substituted, or a salt thereof, possesses potent antibacterial activity against Helicobacter bacterium, especially Helicobacter pylori, and is useful for prevention or treatment of digestive diseases caused by Helicobacter bacterium, solely or in combination with an antacid or an acid secretion inhibitor.