81068-27-1

Basic information

• Product Name: 3-[2-(1-PIPERIDINYL)ETHOXY]BENZALDEHYDE OXALATE
• Synonyms: 3-[2-(1-PIPERIDINYL)ETHOXY]BENZALDEHYDE OXALATE;benzaldehyde, 3-[2-(1-piperidinyl)ethoxy]-;3-[2-(1-piperidinyl)ethoxy]benzaldehyde oxalate(SALTDATA: HCl);3-[2-(1-piperidinyl)ethoxy]benzaldehyde oxalate 1HCl;3-(2-piperidinoethoxy)benzaldehyde;3-[2-(1-piperidyl)ethoxy]benzaldehyde
• CAS NO: 81068-27-1
• Molecular Formula: C₁₄H₁₉NO₂
• Molecular Weight: 233.31
• Mol File: 81068-27-1.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 378.5°C at 760 mmHg
• Flash Point: 182.7°C
• Appearance: /
• Density: 1.084g/cm³
• Vapor Pressure: 6.27E-06mmHg at 25°C
• Refractive Index: 1.554
• CAS DataBase Reference: 3-[2-(1-PIPERIDINYL)ETHOXY]BENZALDEHYDE OXALATE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[2-(1-PIPERIDINYL)ETHOXY]BENZALDEHYDE OXALATE(81068-27-1)
• EPA Substance Registry System: 3-[2-(1-PIPERIDINYL)ETHOXY]BENZALDEHYDE OXALATE(81068-27-1)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 81068-27-1(Hazardous Substances Data)

Usage

General Description

3-[2-(1-piperidinyl)ethoxy]benzaldehyde oxalate is a chemical compound composed of a benzaldehyde group attached to a piperidine ring via an ethoxy linker, and further combined with oxalic acid. 3-[2-(1-PIPERIDINYL)ETHOXY]BENZALDEHYDE OXALATE is often used in laboratory research as a reagent or building block for the synthesis of various organic molecules. The piperidine group provides a basic functionality, while the benzaldehyde portion contains a reactive aldehyde group, making it useful for various chemical transformations. The oxalate salt form of the compound helps to improve its solubility and stability in organic solvents and chemical reactions. Overall, this compound has potential applications in organic synthesis and medicinal chemistry.

InChI:InChI=1/C14H19NO2/c16-12-13-5-4-6-14(11-13)17-10-9-15-7-2-1-3-8-15/h4-6,11-12H,1-3,7-10H2

Upstream product

• 2008-75-5 N-chloroethylpiperidine hydrochloride 
• 100-83-4 meta-hydroxybenzaldehyde 
• 1932-03-2 2-(piperidin-4-yl)ethyl chloride 
• 110-89-4 piperidine 
• 186191-19-5 m-(2-bromoethyloxy)benzaldehyde 

Downstream Products

• 1172118-32-9 2-[3-(2-piperidinoethoxy)phenyl]-4,5-diphenylimidazole 
• 1042810-35-4 3-[2-(piperidin-1-yl)ethoxy]phenylmethanol 
• 914910-55-7 3-((3-(2-(piperidin-1-yl)ethoxy)phenyl)(hydroxy)methyl)-4-fluorobenzonitrile 
• 1155224-40-0 6-amino-5-[{3-(2-piperidin-1-ylethoxy)benzylidene}amino]-1,3-dimethyluracil 
• 1141495-64-8 2,6-bis[(3'-2''-piperidinylethoxy)phenyl]-benzo[1,2-d:4,5-d']bisimidazole 

Relevant articles and documents

Bronchospasmolytic activity and adenosine receptor binding of some newer 1,3-dipropyl-8-phenyl substituted xanthine derivatives

The aldehyde derivatives of 1,3-dipropyl xanthines as described in this paper, constitutes a new series of selective adenosine ligands displaying bronchospasmolytic activity. The effect of substitution at third- and fourth-position of 8-phenyl xanthine ha

Discovery and structure-activity relationship of novel 2,3- dihydrobenzofuran-7-carboxamide and 2,3-dihydrobenzofuran-3(2 h)-one-7-carboxamide derivatives as poly(ADP-ribose)polymerase-1 Inhibitors

Novel substituted 2,3-dihydrobenzofuran-7-carboxamide (DHBF-7-carboxamide) and 2,3-dihydrobenzofuran-3(2H)-one-7-carboxamide (DHBF-3-one-7-carboxamide) derivatives were synthesized and evaluated as inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1). A structure-based design strategy resulted in lead compound 3 (DHBF-7-carboxamide; IC50 = 9.45 μM). To facilitate synthetically feasible derivatives, an alternative core was designed, DHBF-3-one-7-carboxamide (36, IC50 = 16.2 μM). The electrophilic 2-position of this scaffold was accessible for extended modifications. Substituted benzylidene derivatives at the 2-position were found to be the most potent, with 3′,4′-dihydroxybenzylidene 58 (IC50 = 0.531 μM) showing a 30-fold improvement in potency. Various heterocycles attached at the 4′-hydroxyl/4′-amino of the benzylidene moiety resulted in significant improvement in inhibition of PARP-1 activity (e.g., compounds 66-68, 70, 72, and 73; IC50 values from 0.718 to 0.079 μM). Compound 66 showed selective cytotoxicity in BRCA2-deficient DT40 cells. Crystal structures of three inhibitors (compounds (-)-13c, 59, and 65) bound to a multidomain PARP-1 structure were obtained, providing insights into further development of these inhibitors.

Bisbenzimidazole to benzobisimidazole: From binding B-form duplex DNA to recognizing different modes of telomereG-quadruplex

A bisbenzimidazole was discovered to bind helix DNA, while related benzobisimidazole derivatives were found to bind and induce different G-quadruplex isomers. The Royal Society of Chemistry 2009.