1883301-82-3

Basic information

• Product Name: (1S)‐2,2‐difluorocyclopropane‐1‐carboxylic acid
• Synonyms: (1S)‐2,2‐difluorocyclopropane‐1‐carboxylic acid;Cyclopropanecarboxylic acid, 2,2-difluoro-, (1S)-
• CAS NO: 1883301-82-3
• Molecular Formula: C4H4F2O2
• Molecular Weight: 122.0701664
• Mol File: 1883301-82-3.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 188.7±40.0 °C(Predicted)
• Appearance: /
• Density: 1.48±0.1 g/cm3(Predicted)
• PKA: 3.22±0.22(Predicted)
• CAS DataBase Reference: (1S)‐2,2‐difluorocyclopropane‐1‐carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (1S)‐2,2‐difluorocyclopropane‐1‐carboxylic acid(1883301-82-3)
• EPA Substance Registry System: (1S)‐2,2‐difluorocyclopropane‐1‐carboxylic acid(1883301-82-3)

Safety Data

• Hazardous Substances Data: 1883301-82-3(Hazardous Substances Data)

Usage

General Description

(1S)‐2,2‐difluorocyclopropane‐1‐carboxylic acid is a chemical compound with the molecular formula C4H4F2O2. It is a cyclopropane derivative with two fluorine atoms attached to the cyclopropane ring. (1S)‐2,2‐difluorocyclopropane‐1‐carboxylic acid has potential applications in pharmaceutical research and drug development, particularly in the synthesis of novel drugs and biologically active molecules. Its unique structure and properties make it an interesting target for chemical synthesis and pharmaceutical investigations. Additionally, (1S)‐2,2‐difluorocyclopropane‐1‐carboxylic acid may also have potential uses in other industries such as agrochemicals and materials science. Further research and development of this compound could lead to new approaches for designing and producing important chemical compounds with potential medicinal and industrial applications.

Upstream product

• 694-34-8 1,1-difluoro-2-vinylcyclopropane 
• 260352-79-2 2,2-difluorocyclopropanecarboxylic acid butyl ester 
• 107873-03-0 2,2-difluorocyclopropane-1-carboxylic acid 

Downstream Products

• 1883301-82-3 (1R)-2,2-difluorocyclopropanecarboxylic acid 
• 1883299-62-4 ((S)-2,2-difluorocyclopropyl)-((1R,5S)-3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone 
• 1883299-62-4 [(1R)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]oct-8-yl]methanone 
• 1883301-82-3 (1S)-2,2-difluorocyclopropane-1-carboxylic acid 
• 509072-57-5 rac-(2,2-difluorocyclopropyl)methanol 

Relevant articles and documents

PREPARATION OF A PYRIMIDINYL-3,8-DIAZABICYCLO[3.2.1]OCTANYLMETHANONE DERIVATIVE AND SALT THEREOF

Methods for preparing ((S)-2,2-difluorocyclopropyl)-((1R,5S)-3-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]-octan-8-yl)methanone and intermediates used in the processes of preparation thereof.

Large-Scale Cyclopropanation of Butyl Acrylate with Difluorocarbene and Classical Resolution of a Key Fluorinated Building Block

To address challenges in the preparation of a key building block containing a difluorocyclopropane moiety, we have developed a new protocol for difluorocarbene generation that relies on a Krapcho-type dealkylation of ethyl bromodifluoroacetate (EBDFA), an inexpensive and readily available fluorinated feedstock. Application of DoE and kinetic modeling was used to understand key reaction parameters and identify an optimal process. We report two variants of this procedure that offer different processing advantages and that have both been scaled successfully multiple times to deliver hundreds of kilograms of the resulting difluorocyclopropane. To access a single enantiomer of the target compound, we have also developed a classical resolution strategy and recycling protocol for the undesired enantiomer to replace previous chromatographic methods for separation.

Neoplastic diseases and/or infectious diseases is useful bicyclic [...] derivatives (by machine translation)

The present invention relates to bicyclic tetrahydrothiazepine of formula (I), wherein R1 to R3, X1, X2 and R18 have the meaning as indicated in the description and claims. The invention further relates to pharmaceutical compositions comprising such compo