644970-41-2 Usage
Uses
Used in Pharmaceutical Industry:
3-(Trifluoromethyl)pyrrolidine is used as a building block for the synthesis of various pharmaceuticals. Its unique structure and properties make it a valuable component in the development of new drugs with improved efficacy and safety profiles. The trifluoromethyl group imparts enhanced lipophilicity and metabolic stability to the resulting compounds, which can lead to better bioavailability and pharmacokinetic properties.
Used in Agrochemical Industry:
3-(Trifluoromethyl)pyrrolidine is also used as a building block for the synthesis of agrochemicals, such as pesticides and herbicides. The incorporation of the trifluoromethyl group can improve the biological activity and selectivity of these compounds, leading to more effective and environmentally friendly agricultural products.
Used in Organic Synthesis:
3-(Trifluoromethyl)pyrrolidine serves as a versatile intermediate in organic synthesis, allowing for the preparation of a wide range of chemical compounds. Its reactivity and functional group compatibility make it a valuable starting material for the synthesis of various fine chemicals, including specialty polymers, dyes, and other industrial chemicals.
Check Digit Verification of cas no
The CAS Registry Mumber 644970-41-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,4,4,9,7 and 0 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 644970-41:
(8*6)+(7*4)+(6*4)+(5*9)+(4*7)+(3*0)+(2*4)+(1*1)=182
182 % 10 = 2
So 644970-41-2 is a valid CAS Registry Number.
InChI:InChI=1/C5H8F3N/c6-5(7,8)4-1-2-9-3-4/h4,9H,1-3H2
644970-41-2Relevant academic research and scientific papers
The merger of decatungstate and copper catalysis to enable aliphatic C(sp 3)–H trifluoromethylation
Sarver, Patrick J.,Bacauanu, Vlad,Schultz, Danielle M.,DiRocco, Daniel A.,Lam, Yu-hong,Sherer, Edward C.,MacMillan, David W. C.
, p. 459 - 467 (2020/03/23)
The introduction of a trifluoromethyl (CF3) group can dramatically improve a compound’s biological properties. Despite the well-established importance of trifluoromethylated compounds, general methods for the trifluoromethylation of alkyl C–H bonds remain elusive. Here we report the development of a dual-catalytic C(sp3)–H trifluoromethylation through the merger of light-driven, decatungstate-catalysed hydrogen atom transfer and copper catalysis. This metallaphotoredox methodology enables the direct conversion of both strong aliphatic and benzylic C–H bonds into the corresponding C(sp3)–CF3 products in a single step using a bench-stable, commercially available trifluoromethylation reagent. The reaction requires only a single equivalent of substrate and proceeds with excellent selectivity for positions distal to unprotected amines. To demonstrate the utility of this new methodology for late-stage functionalization, we have directly derivatized a broad range of approved drugs and natural products to generate valuable trifluoromethylated analogues. Preliminary mechanistic experiments reveal that a ‘Cu–CF3’ species is formed during this process and the critical C(sp3)–CF3 bond-forming step involves the copper catalyst. [Figure not available: see fulltext.].
