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CAS

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455954-94-6

4-(4-FLUORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER is a chemical compound that is an ester derived from an organic acid. It features a tert-butyl group and a fluorophenyl group attached to a pyrrolidine ring. This unique structure, along with the presence of these functional groups, makes it potentially useful in pharmaceutical research, particularly for drugs targeting the central nervous system.

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  • 4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

    Cas No: 455954-94-6

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  • 4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

    Cas No: 455954-94-6

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  • 455954-94-6 Structure

  • Basic information

    1. Product Name: 4-(4-FLUORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER
    2. Synonyms: 4-(4'-FLUORO)PHENYL-3-CARBOXY-1-BOC-PYRROLIDINE;4-(4-FLUORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER;(3R,4R)-4-(4-fluorophenyl)-1,3-Pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester;(3R,4S)-1-tert-Butoxycarbonyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;4-(4-Fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylicacid
    3. CAS NO:455954-94-6
    4. Molecular Formula: C16H20FNO4
    5. Molecular Weight: 309.33
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 455954-94-6.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 439.925°C at 760 mmHg
    3. Flash Point: 219.859°C
    4. Appearance: /
    5. Density: 1.249g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.537
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(4-FLUORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(4-FLUORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER(455954-94-6)
    12. EPA Substance Registry System: 4-(4-FLUORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER(455954-94-6)

  • 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: 455954-94-6(Hazardous Substances Data)

455954-94-6 Usage

Uses

Used in Pharmaceutical Research:
4-(4-FLUORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER is used as a building block for drug development in the pharmaceutical industry due to its unique structure and potential biological activity. The presence of the fluorophenyl group and the pyrrolidine ring may contribute to its potential as a starting point for the synthesis of new drugs targeting the central nervous system.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 4-(4-FLUORO-PHENYL)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER is used as a compound with potential applications in the development of new medications. Its unique structure and the presence of functional groups make it a promising candidate for further research and exploration in drug discovery processes.

Check Digit Verification of cas no

The CAS Registry Mumber 455954-94-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,5,5,9,5 and 4 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 455954-94:
(8*4)+(7*5)+(6*5)+(5*9)+(4*5)+(3*4)+(2*9)+(1*4)=196
196 % 10 = 6
So 455954-94-6 is a valid CAS Registry Number.
InChI:InChI=1/C16H20FNO4/c1-16(2,3)22-15(21)18-8-12(13(9-18)14(19)20)10-4-6-11(17)7-5-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)

455954-94-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

1.2 Other means of identification

Product number -
Other names -

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:455954-94-6 SDS

455954-94-6Upstream product

455954-94-6Relevant articles and documents

Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety

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Page/Page column 13-14, (2008/06/13)

The present invention relates to cis-derivatives of formula wherein R1, R2, and R3 are as defined herein and to pharmaceutically acceptable acid addition salts thereof. The compounds of formula I are good inhibitors of the

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