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(3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid is a chiral pyrrolidine derivative featuring a tert-butoxycarbonyl (Boc) protective group on the nitrogen atom and a 4-methoxyphenyl group attached to the carbon atom. (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid is an important building block in organic synthesis and medicinal chemistry, known for its specific configuration of the 3 and 4 carbon atoms.

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  • (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid

    Cas No: 1269260-00-5

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  • 1269260-00-5 Structure
  • Basic information

    1. Product Name: (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid
    2. Synonyms: (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid
    3. CAS NO:1269260-00-5
    4. Molecular Formula: C17H23NO5
    5. Molecular Weight: 321.36822
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1269260-00-5.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.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid(CAS DataBase Reference)
    10. NIST Chemistry Reference: (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid(1269260-00-5)
    11. EPA Substance Registry System: (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid(1269260-00-5)
  • 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: 1269260-00-5(Hazardous Substances Data)

1269260-00-5 Usage

Uses

Used in Organic Synthesis:
(3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid is used as a key intermediate in organic synthesis for the creation of diverse chemical structures. The Boc protective group allows for selective removal under mild conditions, facilitating further manipulation of the molecule.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid serves as a valuable building block for developing new pharmaceuticals. The 4-methoxyphenyl group can impart specific properties to the compound, enhancing its potential for use in drug discovery and design.
Used in Agrochemical Development:
(3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid is also utilized in the development of agrochemicals, where its unique structure and functional groups can contribute to the creation of novel and effective products for agricultural applications.

Check Digit Verification of cas no

The CAS Registry Mumber 1269260-00-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,6,9,2,6 and 0 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1269260-00:
(9*1)+(8*2)+(7*6)+(6*9)+(5*2)+(4*6)+(3*0)+(2*0)+(1*0)=155
155 % 10 = 5
So 1269260-00-5 is a valid CAS Registry Number.

1269260-00-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (3S,4R)-4-(4-Methoxyphenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl }-3-pyrrolidinecarboxylic 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:1269260-00-5 SDS

1269260-00-5Downstream Products

1269260-00-5Relevant articles and documents

DIRECT THROMBIN INHIBITORS AND METHODS OF USE THEREOF

-

Page/Page column 25; 28-29, (2021/10/22)

Novel direct thrombin inhibitors are provided herein, along with methods for their use as anticoagulants. The direct thrombin inhibitors described herein are useful in treating and/or preventing thromboembolism and bleeding or clotting disorders. Also provided herein are methods for inhibiting thrombin in a cell using the compounds and compositions described herein.

HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6

-

Paragraph 00392; 00416, (2021/09/04)

The present disclosure relates to compounds capable of modulating the activity of NR2F6. The compounds of the disclosure may be used in methods for the prevention and/or the treatment of diseases and disorders associated with modulating NR2F6 activity.

Regio- and Stereoselective Palladium-Catalyzed C(sp3)-H Arylation of Pyrrolidines and Piperidines with C(3) Directing Groups

Antermite, Daniele,Affron, Dominic P.,Bull, James A.

, p. 3948 - 3952 (2018/07/22)

The selective synthesis of cis-3,4-disubstituted pyrrolidines and piperidines is achieved by a Pd-catalyzed C-H arylation with excellent regio- and stereoselectivity using an aminoquinoline auxiliary at C(3). The arylation conditions are silver free, use a low catalyst loading, and employ inexpensive K2CO3 as a base. Directing group removal is accomplished under new, mild conditions to access amide-, acid-, ester-, and alcohol-containing fragments and building blocks. This C-H arylation protocol enabled a short and stereocontrolled formal synthesis of (-)-paroxetine.

Design and syntheses of melanocortin subtype-4 receptor agonists. Part 2: Discovery of the dihydropyridazinone motif

Ujjainwalla, Feroze,Warner, Daniel,Snedden, Christine,Grisson, Ricky D.,Walsh, Thomas F.,Wyvratt, Matthew J.,Kalyani, Rubana N.,MacNeil, Tanya,Tang, Rui,Weinberg, David H.,Van Der Ploeg, Lex,Goulet, Mark T.

, p. 4023 - 4028 (2007/10/03)

Optimization of the biological activity of a new class of non-peptidyl, pyridazinone derived human melanocortin subtype-4 receptor agonists is disclosed.

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