174213-51-5

Basic information

• Product Name: (S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate
• Synonyms: (S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate;1-Pyrrolidinecarboxylicacid, 2-(phenoxymethyl)-, 1,1-dimethylethyl ester, (2S)-
• CAS NO: 174213-51-5
• Molecular Formula: C₁₆H₂₃NO₃
• Molecular Weight: 277.362
• Mol File: 174213-51-5.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 373.73°C at 760 mmHg
• Flash Point: 179.826°C
• Appearance: /
• Density: 1.082g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.519
• Storage Temp.: 2-8°C
• CAS DataBase Reference: (S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate(174213-51-5)
• EPA Substance Registry System: (S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate(174213-51-5)

Safety Data

• Hazardous Substances Data: 174213-51-5(Hazardous Substances Data)

Usage

Description

(S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate, a chemical compound with the molecular formula C15H25NO3, is a pyrrolidine derivative featuring a tert-butyl group and a phenoxymethyl group. (S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate is recognized for its versatile nature and is widely utilized as a building block in the synthesis of pharmaceuticals and agrochemicals. Its unique structure facilitates participation in a broad spectrum of chemical reactions, rendering it an indispensable tool for researchers and chemists in the development of novel compounds and materials.

Uses

Used in Pharmaceutical Industry:
(S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate is used as a key intermediate for the synthesis of various drugs and biologically active compounds. Its unique structure allows for the creation of a diverse range of pharmaceuticals, contributing to the development of new treatments and therapies.
Used in Agrochemical Industry:
In the agrochemical sector, (S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate is employed as a vital component in the production of agrochemicals. Its role in the synthesis process aids in the development of innovative products designed to enhance crop protection and improve agricultural yields.
Used in Organic Synthesis:
(S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate is utilized as a valuable intermediate in organic synthesis. Its ability to engage in a wide range of chemical reactions makes it an essential tool for researchers and chemists working on the development of new compounds and materials, further expanding the horizons of chemical research and innovation.

InChI:InChI=1/C16H23NO3/c1-16(2,3)20-15(18)17-11-7-8-13(17)12-19-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3/t13-/m0/s1

Upstream product

• 1198149-98-2 tert-butyl (2S)-2-[(4-iodophenoxy)methyl]pyrrolidine-1-carboxylate 
• 106-48-9 4-chloro-phenol 
• 170491-63-1 N-Boc-prolinol 
• 1972-28-7 diethylazodicarboxylate 
• 108-95-2 phenol 
• 69610-40-8 N-(tert-butoxycarbonyl)-L-prolinol 
• 15761-39-4 1-(tert-butoxycarbonyl)-L-proline 
• 23356-96-9 (S)-1-Pyrrolidin-2-yl-methanol 
• 24424-99-5 di-tert-butyl dicarbonate 
• 86661-32-7 (S)-tert-butyl 2-((tosyloxy)methyl)pyrrolidine-1-carboxylate 

Downstream Products

• 174213-76-4 (S)-2-(phenoxymethyl)-pyrrolidine 
• 220510-31-6 [2,3-dioxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-2,3-dihydro-indol-1-yl]-acetic acid tert-butyl ester 
• 872254-18-7 acetic acid (S)-4-[2,3-dioxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-2,3-dihydroindol-1-yl-methyl]phenyl ester 
• 912942-82-6 methanesulfonic acid (S)-2-{4-[2,3-dioxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-2,3-dihydro-indol-1-ylmethyl]-phenoxy}ethyl ester 
• 220509-98-8 5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione 
• 899818-37-2 (S)-1-(p-tert-butyldimethylsilyloxybenzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin 
• 899818-41-8 (S)-1-[4-(2-bromoethoxy)-benzyl]-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione 
• 220510-16-7 (S)-1-benzyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)isatin 
• 220510-28-1 (S)-1-Methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione 

Relevant articles and documents

Efficient synthesis, biological evaluation, and docking study of isatin based derivatives as caspase inhibitors

ABTRACT: In this paper, a new series of isatin-sulphonamide based derivatives were designed, synthesised and evaluated as caspase inhibitors. The compounds containing 1-(pyrrolidinyl)sulphonyl and 2-(phenoxymethyl)pyrrolidin-1-yl)sulphonyl substitution at C5 position of isatin core exhibited better results compared to unsubstituted derivatives. According to the results of caspase inhibitory activity, compound 20d showed moderate inhibitory activity against caspase-3 and ?7 in?vitro compared to Ac-DEVD-CHO (IC50 = 0.016 ± 0.002 μM). Among the studied compounds, some active inhibitors with IC50s in the range of 2.33–116.91 μM were identified. The activity of compound 20d was rationalised by the molecular modelling studies exhibiting the additional van der Waals interaction of N-phenylacetamide substitution along with efficacious T-shaped π-π and pi-cation interactions. The introduction of compound 20d with good caspase inhibitory activity will help researchers to find more potent agents.

ISATIN ANALOGUES AND USES THEREFOR

Novel isatin analogues, including isatin analogues comprising Michael Acceptors (IMAs) are disclosed. Further disclosed are methods of synthesis of the isatin analogues, and uses of the analogues, including inhibition of caspase-3 and caspase-7, and in vi

Design, synthesis, and biological characterization of a caspase 3/7 selective isatin labeled with 2-[18f]fluoroethylazide

Imaging of programmed cell death (apoptosis) is important in the assessment of therapeutic response in oncology and for diagnosis in cardiac and neurodegenerative disorders. The executioner caspases 3 and 7 ultimately effect cellular death, thus providing