541547-36-8

Basic information

• Product Name: ethyl 3-(dibenzylaMino)-2,2-difluoropropanoate
• Synonyms: ethyl 3-(dibenzylaMino)-2,2-difluoropropanoate
• CAS NO: 541547-36-8
• Molecular Formula: C₁₉H₂₁F₂NO₂
• Molecular Weight: 333.3723464
• Mol File: 541547-36-8.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 401.3±45.0 °C(Predicted)
• Appearance: /
• Density: 1.160±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• PKA: 3.43±0.50(Predicted)
• CAS DataBase Reference: ethyl 3-(dibenzylaMino)-2,2-difluoropropanoate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 3-(dibenzylaMino)-2,2-difluoropropanoate(541547-36-8)
• EPA Substance Registry System: ethyl 3-(dibenzylaMino)-2,2-difluoropropanoate(541547-36-8)

Safety Data

• Hazardous Substances Data: 541547-36-8(Hazardous Substances Data)

Usage

General Description

Ethyl 3-(dibenzylamino)-2,2-difluoropropanoate is a chemical compound with the molecular formula C21H23F2NO2. It is an ester derivative of 3-(dibenzylamino)-2,2-difluoropropanoic acid, and it belongs to the class of organic compounds known as esters. ethyl 3-(dibenzylaMino)-2,2-difluoropropanoate is commonly used in the synthesis of various pharmaceuticals and is also utilized in research and development. It is important to handle this chemical with caution, as it may have potential health hazards and environmental impact if not properly managed.

Upstream product

• 667-27-6 Ethyl bromodifluoroacetate 
• 57684-32-9 N-((1 H-benzo[d][1,2,3]triazol-1-yl)methyl)-N-benzyl-1-phenylmethanamine 
• 565-53-7 ethyl dibromofluoroacetate 
• 103-49-1 dibenzylamine 
• 95-14-7 1,2,3-Benzotriazole 
• 50-00-0 formaldehyd 
• 121238-95-7 2H-1,2,3-benzotriazol-2-yl-N,N-dibenzylmethanamine 

Downstream Products

• 890147-32-7 3-(dibenzylamino)-2,2-difluoropropan-1-ol 
• 541547-37-9 3-Amino-2,2-difluoro-propionic acid ethyl ester 
• 1609546-42-0 4-(dibenzylamino)-3,3-difluoro-2-methylbutan-2-ol 
• 847986-13-4 ethyl N-tert-butoxycarbonyl-3-amino-2,2-difluoropropanoate 

Relevant articles and documents

A practical synthesis of 2,2-difluoro-3-amino-propanoic acid (α,α-difluoro-β-alanine)

Reformatsky reaction of ethyl bromodifluoroacetate with N,N-(dibenzyl)-1H-benzotriazolyl-1-methylamine gave fully protected α,α-difluoro-β-alanine. Hydrogenolysis and hydrolysis furnished α,α-difluoro-β-alanine. Further transformation into N-phthalimido-α,α-difluoro-β-alanine was described.

Synthesis of Gly-ψ[(Z)CFCH]-Phe, a Fluoroalkene Dipeptide Isostere, and Its Incorporation into a Leu-enkephalin Peptidomimetic

A new Leu-enkephalin peptidomimetic designed to explore the hydrogen bond acceptor ability of the third peptide bond has been prepared and studied. This new analog is produced by replacing the third amide of Leu-enkephalin with a fluoroalkene. An efficient and innovative synthesis of the corresponding dipeptide surrogate Fmoc-Gly-ψ[(Z)CFCH]-Phe-OH is described. The key step involves the alkylation of a tin dienolate from the less hindered face of its chiral sulfonamide auxiliary derived from camphor. Once its synthesis was complete, its incorporation into the peptidomimetic sequence was achieved on a solid support with chlorotrityl resin following the Fmoc strategy. The peptidomimetic was characterized using competition binding with [125I]-deltorphin I on membrane extracts of HEK293 cells expressing the mouse delta opioid receptor (DOPr) and based on its abilities to inhibit the electrically induced contractions of the mouse vas deferens and to activate the ERK1/2 signaling pathway in DRGF11/DOPr-GFP cells. Together with our previous observations, our findings strongly suggest that the third amide bond of Leu-enkephalin primarily acts as a hydrogen bond acceptor in DOPr. Consequently, this amide bond can be successfully replaced by an ester, a thioamide, or a fluoroalkene without greatly impacting the binding or biological activity of the corresponding analogs. The lipophilicity (LogD7.4) of the active analog was also measured. It appears that fluoroalkenes are almost as efficient at increasing the lipophilicity as normal alkenes.

Heterocyclic compound

本發明提供一種具有CDK8/19抑制活性之雜環化合物。本發明提供一種如下式代表之化合物(其中各代號均如本文之定義)或其鹽。 The present invention provides a heterocyclic compound possessing CDK8/19 inhibitory activity. The present invention provides a compound represented by the formula wherein each symbol is as defined herein, or a salt thereof.