1810-13-5

Basic information

• Product Name: 3,3,4,4-TETRAFLUOROPYRROLIDINE HYDROCHLORIDE
• Synonyms: 3,3,4,4-TETRAFLUOROPYRROLIDINE HYDROCHLORIDE,97.0%(T)(N);Pyrrolidine, 3,3,4,4-tetrafluoro-, hydrochloride;3,4-Tetrafluoropyrrolidine hydrochloride
• CAS NO: 1810-13-5
• Molecular Formula: C₄H₅F₄N*ClH
• Molecular Weight: 0
• Mol File: 1810-13-5.mol
• Article Data: 8

Chemical Properties

• Melting Point: 193-196 °C
• Boiling Point: 80.5°C at 760 mmHg
• Flash Point: 2.5°C
• Appearance: /
• Vapor Pressure: 85.1mmHg at 25°C
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility: Soluble in water
• CAS DataBase Reference: 3,3,4,4-TETRAFLUOROPYRROLIDINE HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3,4,4-TETRAFLUOROPYRROLIDINE HYDROCHLORIDE(1810-13-5)
• EPA Substance Registry System: 3,3,4,4-TETRAFLUOROPYRROLIDINE HYDROCHLORIDE(1810-13-5)

Safety Data

• Hazardous Substances Data: 1810-13-5(Hazardous Substances Data)

Usage

General Description

3,3,4,4-Tetrafluoropyrrolidine hydrochloride is a chemical compound with the molecular formula C4H7F4N?HCl. It is a fluorinated pyrrolidine derivative that is used in the synthesis of pharmaceuticals and agrochemicals. 3,3,4,4-TETRAFLUOROPYRROLIDINE HYDROCHLORIDE is a white crystalline solid that is soluble in water and other polar solvents. It is commonly used as a building block in organic synthesis, specifically in the preparation of fluorinated compounds. 3,3,4,4-Tetrafluoropyrrolidine hydrochloride is an important intermediate in the production of various pharmaceuticals and is also used in the development of novel materials and chemicals.

InChI:InChI=1/C4H5F4N.ClH/c5-3(6)1-9-2-4(3,7)8;/h9H,1-2H2;1H

Upstream product

• 377-33-3 3,3,4,4-tetrafluorosuccinimide 

Downstream Products

• 1357192-06-3 5-methoxy-1-[2-methoxy-4-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one 
• 1357191-92-4 1-(3-tert-butoxy-4-nitrophenyl)-3,4-difluoro-1H-pyrrole 
• 1323403-97-9 3-{1-OXO-4-[4-(3,3,4,4-TETRAFLUORO-PYRROLIDIN-1-YL METHYL)-BENZYLOXY]-1,3-DIHYDRO-ISOINDOL-2-YL}-PIPERIDINE-2,6-DIONE 
• 1238698-81-1 1-[2-fluoro-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one 
• 1238696-77-9 1-[2-fluoro-4-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one 
• 845782-52-7 (S)-[5-benzyloxycarbonylamino-1-(3,3,4,4-tetrafluoro-pyrrolidine-1-carbonyl)-pentyl]-carbamic acid tert-butyl ester 
• 120047-51-0 3,4-difluoro-1H-pyrrole 

Relevant articles and documents

Synthesis and study of fluorine-functionalized ZnTPPs

Five fluorinated zinc tetraphenyl porphyrins derivatives, fluorinated either on all ortho positions of the meso phenyl rings (Zn(II)-5,10,15,20-tetrakis(2,6-difluorophenyl)porphyrin) or in β-positions with two, four, six or eight fluorine groups (2,3-difluoro-5,10,15,20-tetraphenylporphyrin, 7,8,17,18-tetrafluoro-5,10,15,20-tetraphenylporphyrin, 7,8,12,13,17,18-hexafluoro-5,10,15,20-tetraphenyl-porphyrin and 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenylporphyrin, respectively), were studied to probe the effect of fluorine in on-surface synthesis approaches. Additionally, bulkier substituents have been used in 7,8,17,18-tetrabromo-5,10,15,20-tetraphenylporphyrin and 7,8,17,18-tetramethyl-5,10,15,20-tetraphenylporphyrin, for a direct comparison with the corresponding fluorinated compounds. Reported are the synthesis and electronic structure characterization of the compounds, using UV-vis absorption and fluorescence spectroscopies as well as electronic structure calculations of the ground state molecular properties. Steric and electronic effects of fluorination are explored. For all molecules studied, substitution with fluorine maintains a planar tetrapyrrole macrocycle and shifts in the absorption spectra were consistent with calculated changes in the HOMOs and LUMOs energies of the molecules. In contrast, the bromo and methyl-substituted derivatives exhibit chemical instability and spectral shifts, compared to parent compound ZnTPP, consistent with structural distortions and accounted for calculations. The site-specific effects of fluorination on the electronic structure are discussed in detail.

METHOD FOR PRODUCING TETRAFLUORO COMPOUND

Provided is a method for producing a tetrafluoro nitrogen-containing heterocyclic compound such as tetrafluoropyrrolidine in good yield and at low cost. The method comprises the steps of: (A) reacting a compound represented by the formula (I) with fluorine gas to produce a tetrafluoro compound represented by the formula (II), (B) converting the tetrafluoro derivative represented by the formula (II) to a compound represented by the formula (III), and (C) reacting the compound represented by the formula (III) with an amine compound represented by the formula NH2R9 to produce a tetrafluoro nitrogen-containing heterocyclic compound represented by the formula (IV) or salt thereof.

Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors

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