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CAS

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1189485-03-7

3-(TRIFLUOROMETHYL)PYRROLIDINE HCL is a chemical compound featuring a pyrrolidine ring with a trifluoromethyl group attached to it. As the hydrochloride salt form, it offers enhanced stability, making it suitable for pharmaceutical and research applications. Its unique structure and properties, particularly the trifluoromethyl group, endow it with distinctive reactivity, which is highly valued in medicinal chemistry and drug discovery.

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  • 1189485-03-7 Structure

  • Basic information

    1. Product Name: 3-(TRIFLUOROMETHYL)PYRROLIDINE HCL
    2. Synonyms: 3-(TRIFLUOROMETHYL)PYRROLIDINE HCL
    3. CAS NO:1189485-03-7
    4. Molecular Formula: C5H8F3N*ClH
    5. Molecular Weight: 175.5798696
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1189485-03-7.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-(TRIFLUOROMETHYL)PYRROLIDINE HCL(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-(TRIFLUOROMETHYL)PYRROLIDINE HCL(1189485-03-7)
    11. EPA Substance Registry System: 3-(TRIFLUOROMETHYL)PYRROLIDINE HCL(1189485-03-7)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1189485-03-7(Hazardous Substances Data)

1189485-03-7 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
3-(TRIFLUOROMETHYL)PYRROLIDINE HCL is utilized as an intermediate in the synthesis of various pharmaceuticals and agrochemicals due to its unique structure and properties. Its trifluoromethyl group contributes to the development of new compounds with potential therapeutic or pesticidal effects.
Used in Analytical Chemistry and Spectroscopic Research:
3-(TRIFLUOROMETHYL)PYRROLIDINE HCL is employed as a standard reference material in analytical chemistry and spectroscopy. Its well-defined properties allow for accurate calibration and validation of analytical methods, ensuring reliable measurements and data interpretation in these fields.

Check Digit Verification of cas no

The CAS Registry Mumber 1189485-03-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,8,9,4,8 and 5 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1189485-03:
(9*1)+(8*1)+(7*8)+(6*9)+(5*4)+(4*8)+(3*5)+(2*0)+(1*3)=197
197 % 10 = 7
So 1189485-03-7 is a valid CAS Registry Number.
InChI:InChI=1S/C5H8F3N.ClH/c6-5(7,8)4-1-2-9-3-4;/h4,9H,1-3H2;1H

1189485-03-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(trifluoromethyl)pyrrolidine,hydrochloride

1.2 Other means of identification

Product number -
Other names HT037

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1189485-03-7 SDS

1189485-03-7Relevant articles and documents

Synthesis of trifluoromethyl-substituted 3-azabicyclo[n.1.0]alkanes: Advanced building blocks for drug discovery

Artamonov, Olexiy S.,Slobodyanyuk, Evgeniy Y.,Volochnyuk, Dmitriy M.,Komarov, Igor V.,Tolmachev, Andrey A.,Mykhailiuk, Pavel K.

, p. 3592 - 3599 (2014)

Five CF3-substituted 3-azabicyclo[n.1.0]alkanes were synthesized by CuCl-mediated trifluoromethylcyclopropanation reaction of the corresponding cyclic enamides with CF3CHN2. Copyright

Deoxofluorination of Aliphatic Carboxylic Acids: A Route to Trifluoromethyl-Substituted Derivatives

Bugera, Maksym,Trofymchuk, Serhii,Tarasenko, Karen,Zaporozhets, Olga,Pustovit, Yurii,Mykhailiuk, Pavel K.

, p. 16105 - 16115 (2019/12/24)

A practical method for the synthesis of functionalized aliphatic trifluoromethyl-substituted derivatives from aliphatic acids is developed. The transformation proceeds with sulfur tetrafluoride in the presence of water as a key additive. Compared to previous methods, the reaction gives products with full retention of stereo- and absolute configuration of chiral centers.

Synthesis and characterization of β-trifluoromethyl-substituted pyrrolidines

Yarmolchuk, Vladimir S.,Shishkin, Oleg V.,Starova, Viktoriia S.,Zaporozhets, Olga A.,Kravchuk, Olga,Zozulya, Sergey,Komarov, Igor V.,Mykhailiuk, Pavel K.

, p. 3086 - 3093 (2013/06/27)

A practical synthetic approach to the construction of a library of three isomeric/homologous β-trifluoromethyl-substituted pyrrolidines is disclosed. All products were prepared in multigram quantities from a common precursor. The key synthetic step was a [3+2] cycloaddition reaction. The influence of the trifluoromethyl group on the physicochemical characteristics of the pyrrolidine fragment was studied. Three β-(trifluoromethyl)ated pyrrolidines have been synthesized on multigram scales. The influence of the CF3 group on the physicochemical properties of the pyrrolidine fragment has been studied. Copyright

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