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790658-58-1

(3R,4R)-N-Cbz-3,4-difluoropyrrolidine is a pyrrolidine derivative, an organic compound characterized by a five-membered ring structure with four carbon atoms and one nitrogen atom. This specific compound features two fluorine atoms at the third and fourth positions of the pyrrolidine ring, and a benzyloxycarbonyl (Cbz) group attached to the nitrogen atom. The stereochemical configuration (3R,4R) denotes the orientation of the substituents on the third and fourth carbon atoms, which is crucial for its potential applications in organic synthesis and medicinal chemistry due to its unique structure and reactivity.

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  • 790658-58-1 Structure

  • Basic information

    1. Product Name: (3R,4R)-N-Cbz-3,4-difluoropyrrolidine
    2. Synonyms: (3r,4r)-n-cbz-3,4-difluoropyrrolidine;(3R,4R)-3,4-Difluoro-1-pyrrolidinecarboxylic acid phenylmethyl ester;(3R,4R)-Benzyl 3,4-difluoropyrrolidine-1-carboxylate
    3. CAS NO:790658-58-1
    4. Molecular Formula: C12H13F2NO2
    5. Molecular Weight: 241.23
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 790658-58-1.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 333 °C
    3. Flash Point: 155 °C
    4. Appearance: /
    5. Density: 1.26
    6. Refractive Index: 1.522
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: (3R,4R)-N-Cbz-3,4-difluoropyrrolidine(CAS DataBase Reference)
    10. NIST Chemistry Reference: (3R,4R)-N-Cbz-3,4-difluoropyrrolidine(790658-58-1)
    11. EPA Substance Registry System: (3R,4R)-N-Cbz-3,4-difluoropyrrolidine(790658-58-1)

  • 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: 790658-58-1(Hazardous Substances Data)

790658-58-1 Usage

Uses

Used in Organic Synthesis:
(3R,4R)-N-Cbz-3,4-difluoropyrrolidine is used as a building block for the synthesis of more complex organic molecules. Its unique structure and reactivity make it a valuable intermediate in the creation of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Medicinal Chemistry:
In the pharmaceutical industry, (3R,4R)-N-Cbz-3,4-difluoropyrrolidine is used as a key intermediate in the development of new drugs. Its specific stereochemistry and functional groups can be leveraged to design molecules with targeted biological activities, potentially leading to the discovery of novel therapeutic agents.
Used in Chiral Synthesis:
Due to its chiral centers, (3R,4R)-N-Cbz-3,4-difluoropyrrolidine is utilized in chiral synthesis, an important aspect of pharmaceutical development. The ability to control the stereochemistry of the compound allows for the creation of enantiomerically pure compounds, which is essential for ensuring the desired biological activity and minimizing side effects in drug development.

Check Digit Verification of cas no

The CAS Registry Mumber 790658-58-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,9,0,6,5 and 8 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 790658-58:
(8*7)+(7*9)+(6*0)+(5*6)+(4*5)+(3*8)+(2*5)+(1*8)=211
211 % 10 = 1
So 790658-58-1 is a valid CAS Registry Number.
InChI:InChI=1/C12H13F2NO2/c13-10-6-15(7-11(10)14)12(16)17-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m1/s1

790658-58-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name benzyl (3R,4R)-3,4-difluoropyrrolidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names A9889

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:790658-58-1 SDS

790658-58-1Relevant articles and documents

Fluoropyrrolidine amides as dipeptidyl peptidase IV inhibitors

Caldwell, Charles G.,Chen, Ping,He, Jiafang,Parmee, Emma R.,Leiting, Barbara,Marsilio, Frank,Patel, Reshma A.,Wu, Joseph K.,Eiermann, George J.,Petrov, Aleksandr,He, Huaibing,Lyons, Kathryn A.,Thornberry, Nancy A.,Weber, Ann E.

, p. 1265 - 1268 (2007/10/03)

Amides derived from fluorinated pyrrolidines and 4-substituted cyclohexylglycine analogues have been prepared and evaluated as inhibitors of dipeptidyl dipeptidase IV (DP-IV). Analogues which incorporated (S)-3-fluoropyrrolidine showed good selectivity for DP-IV over quiescent cell proline dipeptidase (QPP). Compound 48 had good pharmacokinetic properties and was orally active in an oral glucose tolerance test in lean mice.

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