189956-41-0

Basic information

• Product Name: 2-cyclobutoxyacetic acid
• Synonyms: 2-cyclobutoxyacetic acid
• CAS NO: 189956-41-0
• Molecular Formula: C₆H₁₀O₃
• Molecular Weight: 130
• Mol File: 189956-41-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 278.6±13.0 °C(Predicted)
• Appearance: /
• Density: 1.17±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 3.55±0.10(Predicted)
• CAS DataBase Reference: 2-cyclobutoxyacetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-cyclobutoxyacetic acid(189956-41-0)
• EPA Substance Registry System: 2-cyclobutoxyacetic acid(189956-41-0)

Safety Data

• Hazardous Substances Data: 189956-41-0(Hazardous Substances Data)

Usage

General Description

2-cyclobutoxyacetic acid, also known as 2-cyclobutoxyethanoic acid, is a chemical compound with the molecular formula C7H12O3. It is classified as a carboxylic acid and contains a cyclobutane ring in its structure. 2-cyclobutoxyacetic acid is commonly used as a building block in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. It has been studied for its potential as a herbicide and plant growth regulator. This chemical compound is considered to have low toxicity and is not expected to bioaccumulate in the environment. However, further research is needed to fully understand its properties and applications.

Upstream product

• 2919-23-5 cyclobutanol 
• 79-08-3 bromoacetic acid 
• 3926-62-3 sodium monochloroacetic acid 

Relevant articles and documents

Identification of a Hydroxypyrimidinone Compound (21) as a Potent APJ Receptor Agonist for the Potential Treatment of Heart Failure

This paper describes our continued efforts in the area of small-molecule apelin receptor agonists. Recently disclosed compound 2 showed an acceptable metabolic stability but demonstrated monodemethylation of the dimethoxyphenyl group to generate atropisomer metabolites in vitro. In this article, we extended the structure–activity relationship at the C2 position that led to the identification of potent pyrazole analogues with excellent metabolic stability. Due to the increased polarity at C2, the permeability for these compounds decreased. Further adjustment of the polarity by replacing the N1 2,6-dimethoxyphenyl group with a 2,6-diethylphenyl group and reoptimization for the potency of the C5 pyrroloamides resulted in potent compounds with improved permeability. Compound 21 displayed excellent pharmacokinetic profiles in rat, monkey, and dog models and robust pharmacodynamic efficacy in the rodent heart failure model. Compound 21 also showed an acceptable safety profile in preclinical toxicology studies and was selected as a backup development candidate for the program.

CETP INHIBITORS

Compounds of Formula I, including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis. I