50458-78-1

Basic information

• Product Name: Ethyl isoquinoline-1-carboxylate
• Synonyms: Ethyl isoquinoline-1-carboxylate
• CAS NO: 50458-78-1
• Molecular Formula: C₁₂H₁₁NO₂
• Molecular Weight: 201.22124
• Mol File: 50458-78-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 355.5±15.0 °C(Predicted)
• Appearance: /
• Density: 1.175±0.06 g/cm3(Predicted)
• PKA: 1.96±0.30(Predicted)
• CAS DataBase Reference: Ethyl isoquinoline-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl isoquinoline-1-carboxylate(50458-78-1)
• EPA Substance Registry System: Ethyl isoquinoline-1-carboxylate(50458-78-1)

Safety Data

• Hazardous Substances Data: 50458-78-1(Hazardous Substances Data)

Usage

General Description

Ethyl isoquinoline-1-carboxylate is a chemical compound that belongs to the class of isoquinoline derivatives. It is commonly used in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. Ethyl isoquinoline-1-carboxylate has been found to possess a variety of biological activities, including antioxidant, anti-inflammatory, and antimicrobial properties. Ethyl isoquinoline-1-carboxylate has potential to be used in medicinal chemistry for the development of new drugs and therapeutic agents. Additionally, it can also be used as a building block for the synthesis of complex organic molecules in the field of organic chemistry. Overall, this compound has significant importance in both medicinal and synthetic chemistry due to its versatile properties.

Upstream product

• 486-73-7 1-isoquinolinecarboxylic acid 
• 541-41-3 chloroformic acid ethyl ester 
• 83629-90-7 1-trimethylstannyl-isoquinoline 
• 1111310-87-2 ethyl 2-(methylsulfonyloxy)-2-(2-vinylphenyl)acetate 
• 64-17-5 ethanol 
• 844-25-7 2-benzoyl-1-cyano-1,2-dihydroisoquinoline 
• 119-65-3 isoquinoline 
• 77198-99-3 N-(2-phenylethyl)benzenesulfonamide 
• 175287-91-9 2-benzenesulfonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid ethyl ester 
• 4755-77-5 Ethyl oxalyl chloride 

Downstream Products

• 58022-21-2 1-acetylisoquinoline 
• 120332-60-7 2-amino-1-(ethoxycarbonyl)isoquinolinium tosylate 
• 76594-30-4 2-amino-1-ethoxycarbonyl isoquinolinium mesitylensulfonate 
• 148149-21-7 1-isoquinolinecarboxylic acid benzylamide 
• 27311-63-3 1-Hydroxymethyl-isoquinoline 
• 106181-28-6 ethyl (+/-)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate 
• 86726-73-0 1-cinnamoylisoquinoline 
• 5467-83-4 1-[1]isoquinolyl-1-phenyl-ethanol 
• 141-97-9 ethyl acetoacetate 
• 92200-07-2 ethyl 3-(isoquinolin-1-yl)-3-oxopropanoate 
• 406192-81-2 isoquinoline hydrazide 
• 1632164-73-8 5-(1-isoquinolinyl)-3-phenylpyrazole 
• 1632164-61-4 1-(1-isochinolinyl)-3-phenyl-propane-1,3-dione 
• 19382-37-7 3-phenylimidazo<5,1-a>isoquinoline 

Relevant articles and documents

Microscale Parallel Synthesis of Acylated Aminotriazoles Enabling the Development of Factor XIIa and Thrombin Inhibitors

Herein we report a microscale parallel synthetic approach allowing for rapid access to libraries of N-acylated aminotriazoles and screening of their inhibitory activity against factor XIIa (FXIIa) and thrombin, which are targets for antithrombotic drugs. This approach, in combination with post-screening structure optimization, yielded a potent 7 nM inhibitor of FXIIa and a 25 nM thrombin inhibitor; both compounds showed no inhibition of the other tested serine proteases. Selected N-acylated aminotriazoles exhibited anticoagulant properties in vitro influencing the intrinsic blood coagulation pathway, but not extrinsic coagulation. Mechanistic studies of FXIIa inhibition suggested that synthesized N-acylated aminotriazoles are covalent inhibitors of FXIIa. These synthesized compounds may serve as a promising starting point for the development of novel antithrombotic drugs.

Pd-containing organopolyoxometalates derived from Dawson polyoxometalate [P2W15V3O62]9-: Lewis acidity and dual site catalysis

Grafting of a palladium complex to the Dawson vanadotungstate polyanion [P2W15V3O62]9- via an organic ligand generates a large family of pincer-type hybrid polyoxometalates. The palladium-POM derivatives have dual catalytic properties. Unlike their parent inorganic polyanions, they catalyze allylations while retaining their oxidant character, which leads to single-pot dual site catalysis. This opens a new route for multicatalytic reactions.

A novel synthesis of isoquinolines containing an electron withdrawing substituent

3,4-Dihydroisoquinolines (10, 13) and isoquinolines (11), having various electron withdrawing substituent were synthesized in two steps from N- benzenesulfonyl- or N, N-dimethylsulfamoyl-β-phenethylamines (2 and 5). A novel cyclization method using ethyl chloro(methylthio)acetate (1) in the presence of SnCl4 as Lewis acid, followed by acid or base treatment provides the title compounds in good yield.