1310381-54-4

Basic information

• Product Name: 3-Oxetaneacetic acid
• Synonyms: 3-Oxetaneacetic acid;2-(oxetan-3-yl)acetic acid;Oxetan-3-ylacetic acid;2-(Oxetan-3-yl)
• CAS NO: 1310381-54-4
• Molecular Formula: C5H8O3
• Molecular Weight: 116.11522
• Mol File: 1310381-54-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 260.1±13.0 °C(Predicted)
• Appearance: /
• Density: 1.232±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• PKA: 4.44±0.10(Predicted)
• CAS DataBase Reference: 3-Oxetaneacetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Oxetaneacetic acid(1310381-54-4)
• EPA Substance Registry System: 3-Oxetaneacetic acid(1310381-54-4)

Safety Data

• Hazardous Substances Data: 1310381-54-4(Hazardous Substances Data)

Usage

General Description

3-oxetaneacetic acid, also known as 3-oxetaneacetic acid, is a compound with the chemical formula C5H8O3. It is a carboxylic acid with a cyclic structure containing a four-membered oxetane ring. 3-Oxetaneacetic acid has been studied for its potential use as a building block in organic synthesis, particularly for the formation of heterocyclic compounds. Its unique structure and reactivity make it a valuable intermediate for the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Additionally, 3-oxetaneacetic acid has shown potential as a chiral auxiliary in organic synthesis, making it a versatile compound with various potential applications in the field of chemistry.

Upstream product

• 1242160-03-7 benzyl 2-(oxetan-3-ylidene)acetate 
• 922500-91-2 ethyl 2-(oxetan-3-ylidene)acetate 

Relevant articles and documents

Nonclassical Phenyl Bioisosteres as Effective Replacements in a Series of Novel Open-Source Antimalarials

The replacement of one chemical motif with another that is broadly similar is a common method in medicinal chemistry to modulate the physical and biological properties of a molecule (i.e., bioisosterism). In recent years, bioisosteres such as cubane and bicyclo[1.1.1]pentane (BCP) have been used as highly effective phenyl mimics. Herein, we show the successful incorporation of a range of phenyl bioisosteres during the open-source optimization of an antimalarial series. Cubane (19) and closo-carborane (23) analogues exhibited improved in vitro potency against Plasmodium falciparum compared to the parent phenyl compound; however, these changes resulted in a reduction in metabolic stability; unusually, enzyme-mediated oxidation was found to take place on the cubane core. A BCP analogue (22) was found to be equipotent to its parent phenyl compound and showed significantly improved metabolic properties. While these results demonstrate the utility of these atypical bioisosteres when used in a medicinal chemistry program, the search to find a suitable bioisostere may well require the preparation of many candidates, in our case, 32 compounds.

Synthesis method of 3-oxetane acetic acid

The invention belongs to the fields of organic synthesis and medicine synthesis, and especially relates to a synthesis method of 3-oxetane acetic acid. The synthesis method includes the following steps: (1) performing a reaction to 3-oxetanone and benzylo