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(2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid is a heterocyclic organic compound with the molecular formula C11H17NO4F. It is a derivative of pyrrolidine, characterized by the presence of a fluorine atom and a carboxylic acid functional group. (2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid also features a tert-butoxycarbonyl group, which serves as a protecting group in organic synthesis, temporarily masking reactive functional groups. This unique structure makes it a promising candidate for pharmaceutical or biochemical research and development.

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  • (2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid

    Cas No: 681128-50-7

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  • 681128-50-7 Structure
  • Basic information

    1. Product Name: (2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid
    2. Synonyms: 1,2-Pyrrolidinedicarboxylic acid,4-fluoro-,1-(1,1-dimethylethyl) ester,(2R,4S)-;(2R,4S)-1-Boc-4-fluoropyrrolidine-2-carboxylic acid;(2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid;(4S)-1-Boc-4-fluoro-D-proline
    3. CAS NO:681128-50-7
    4. Molecular Formula: C10H16FNO4
    5. Molecular Weight: 233.2367432
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 681128-50-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 346.0±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.24±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 3.53±0.40(Predicted)
    10. CAS DataBase Reference: (2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: (2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid(681128-50-7)
    12. EPA Substance Registry System: (2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid(681128-50-7)
  • 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: 681128-50-7(Hazardous Substances Data)

681128-50-7 Usage

Uses

Used in Pharmaceutical Research and Development:
(2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid is used as a potential building block for the development of new drugs. Its fluorine atom and carboxylic acid functional group can be exploited to create novel molecular entities with specific biological activities, addressing unmet medical needs.
Used in Biochemical Research:
In biochemical research, (2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid can be employed as a synthetic intermediate or a probe molecule to study enzyme mechanisms, protein-ligand interactions, or other biological processes. Its unique structure may provide insights into the molecular basis of various biological phenomena.
Used in Organic Synthesis:
(2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid is used as a synthetic intermediate in organic chemistry. The tert-butoxycarbonyl group can be selectively removed under mild conditions, revealing the reactive functional groups for further chemical transformations. This property makes it a valuable component in the synthesis of complex organic molecules and natural products.
Used in Drug Delivery Systems:
(2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid can be utilized in the design of drug delivery systems, where its carboxylic acid functional group can be conjugated to various carriers, such as nanoparticles or polymers. This allows for targeted drug delivery and controlled release, improving the therapeutic efficacy and reducing side effects of the drug molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 681128-50-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,8,1,1,2 and 8 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 681128-50:
(8*6)+(7*8)+(6*1)+(5*1)+(4*2)+(3*8)+(2*5)+(1*0)=157
157 % 10 = 7
So 681128-50-7 is a valid CAS Registry Number.

681128-50-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name (2R,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-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:681128-50-7 SDS

681128-50-7Downstream Products

681128-50-7Relevant articles and documents

INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES

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Page/Page column 91; 96, (2021/03/13)

Compounds of Formula I and Formula II: pharmaceutical compositions containing them, and use of the compounds as active ingredients to treat infection with alphavirus.

METABOTROPIC GLUTAMATE RECEPTORS 5 MODULATORS AND METHODS OF USE THEREOF

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Page/Page column 153, (2012/12/13)

Compounds that modulate GluR5 activity and methods of using the same are disclosed.

COMPOUNDS CONTAINING FUSED RINGS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF

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Page/Page column 86, (2011/11/01)

The invention provides novel beta-secretase inhibitors and methods for their use, including methods of treating Alzheimer's disease.

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