52133-67-2

Basic information

• Product Name: Ethyl 2,2-diethoxyethylcyanoacetate
• Synonyms: ETHYL 2,2-DIETHOXYETHYLCYANOACETATE;ETHYL 2-CYANO-4,4-DIETHOXYBUTANOATE;ETHYL 2-CYANO-4,4-DIETHOXYBUTYRATE;AKOS 92469;ETHYL-2,2-DIETHOXYTHYLCYANOACETATE;Ethyl-2-Cyano-4,4-Diethoxybutanoide;Ethyl-2-cyano-4,4-diethoxbutyrate;2-Cyano-4,4-diethoxybutyric Acid Ethyl Ester
• CAS NO: 52133-67-2
• Molecular Formula: C₁₁H₁₉NO₄
• Molecular Weight: 229.27
• EINECS: 1533716-785-6
• Product Categories: Nucleotides and Nucleosides;Bases & Related Reagents;Intermediates;Nucleotides;Miscellaneous Reagents
• Mol File: 52133-67-2.mol
• Article Data: 23

Chemical Properties

• Boiling Point: 86°C 0,1mm
• Flash Point: >110°C
• Appearance: Colourless Liquid
• Density: 1,025 g/cm3
• Vapor Pressure: 0.000121mmHg at 25°C
• Refractive Index: 1.44
• Storage Temp.: Refrigerator
• Solubility: Chloroform, Methanol
• CAS DataBase Reference: Ethyl 2,2-diethoxyethylcyanoacetate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 2,2-diethoxyethylcyanoacetate(52133-67-2)
• EPA Substance Registry System: Ethyl 2,2-diethoxyethylcyanoacetate(52133-67-2)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 52133-67-2(Hazardous Substances Data)

Usage

Chemical Properties

Colourless Liquid

Uses

Ethyl 2-Cyano-4,4-diethoxybutyrate (cas# 52133-67-2) is a compound useful in organic synthesis.

InChI:InChI=1/C11H19NO4/c1-4-14-10(15-5-2)7-9(8-12)11(13)16-6-3/h9-10H,4-7H2,1-3H3

Upstream product

• 105-56-6 ethyl 2-cyanoacetate 
• 2032-35-1 Bromoacetaldehyde diethyl acetal 
• 298-06-6 O,O-Diethyl hydrogen phosphorodithioate 
• 621-62-5 chloroacetaldehyde diethyl acetal 
• 64-17-5 ethanol 
• 1187-46-8 ethyl bromocyanoacetate 
• 109-92-2 ethyl vinyl ether 

Downstream Products

• 90057-08-2 4-Chlor-2-methoxy-7H-pyrrolo<2,3-d>pyrimidin 
• 128751-20-2 7-<2'-Deoxy-3',5'-di-O-(p-toluoyl)-β-D-erythropentofuranosyl>-1,3-dimethylpyrrolo<2,3-d>pyrimidine-2,4-dione 
• 128751-22-4 7-<2'-Deoxy-3',5'-di-O-(p-toluoyl)-α-D-erythropentofuranosyl>-1,3-dimethylpyrrolo<2,3-d>pyrimidine-2,4-dione 
• 39112-72-6 1,3-Dimethylpyrrolo<2,3-d>pyrimidine-2,4-dione 
• 39930-51-3 1,3,7-Trimethylpyrrolo<2,3-d>pyrimidine-2,4-dione 
• 91335-09-0 6-amino-5-(2,2-diethoxy-ethyl)-2-methyl-3H-pyrimidin-4-one 
• 941678-49-5 ruxolitinib 
• 1199942-99-8 4-[4-(trans-4-hydroxy-cyclohexylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-phenol 
• 1199942-98-7 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-phenol 
• 1147015-03-9 1-isopropyl-7-((2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl)-1H-indole-3-carbonitrile 
• 1147015-28-8 4-{[2-ethyl-1-(1-methylethyl)-1H-benzimidazol-7-yl]ethynyl}-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine 
• 1147015-23-3 4-{[2-methyl-1-(1-methylethyl)-1H-benzimidazol-7-yl]ethynyl}-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine 
• 1147015-04-0 1-isopropyl-7-((2-(4-(4-methylpiperazin-1-yl)phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl)-1H-indole-3-carbonitrile 
• 1147015-24-4 4-{[2-methyl-1-(1-methylethyl)-1H-benzimidazol-7-yl]ethynyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine 

Relevant articles and documents

PROCESS AND INTERMEDIATES FOR PREPARING A JAK INHIBITOR

The present invention is related to processes for preparing ruxolitinib, or a salt thereof, and related synthetic intermediates related thereto.

Synthesis and biological evaluation of some new tricyclic pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidine derivatives as potential antitubercular agents

A series of new tricyclic pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidines 8a–l were synthesized and characterized by IR, NMR (1H and 13C), and mass spectral analysis. The newly synthesized compounds 8a–l were inspected for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra using an established XTT reduction menadione assay (XRMA). The title compounds exhibited minimum inhibitory concentrations (MIC90) ranging from 0.09 to >30 μg/mL. Five compounds (8c, 8i–l) were further confirmed for their dose-dependent effect against MTB. These compounds were evaluated in the THP-1 infection model, where 8i (MIC90 = 0.35 μg/mL), 8j (MIC90 = 1.17 μg/mL), 8k (MIC90 = 2.38 μg/mL), and 8l (MIC90 = 1.17 μg/mL) demonstrated significant antitubercular activity. All the ex vivo active compounds showed insignificant cytotoxicity against the human cancer cell lines, HeLa, MCF-7, and THP-1. Inactivity of all these compounds against Gram positive and Gram negative bacteria indicates their specificity. Molecular docking studies in the active site of the sterol 14alpha-demethylase (CYP51) enzyme revealed a similar binding mode to the native ligand in the crystal structure, thereby helping to understand the ligand–protein interactions and to establish a structural basis for inhibition of MTB. The results suggest novel pharmacophores as selective and specific inhibitors against MTB that can be explored further to synthesize lead compounds against tuberculosis. In summary, the results clearly indicate the identification of some novel, selective, and specific inhibitors against MTB that can be explored further for potential antitubercular drugs.

The therapeutic compound, use and related method (by machine translation)

PROBLEM TO BE SOLVED: To provide a pharmaceutical composition containing a compound or its salt which prevents or treats a central nervous system disease in which integration dysfunction syndrome and agnosia are enumerated as exemplary disorders.SOLUTION: The pharmaceutical composition includes the compound or its salt represented by chemical formula (A) which modulates striatal-enriched protein tyrosine phosphatase (STEP).