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4-Isoquinolinecarboxylic acid, ethyl ester is a chemical compound with the molecular formula C12H11NO2. It is an ester derivative of isoquinolinecarboxylic acid, which is found in various natural products and has been used in the synthesis of pharmaceutical compounds. This colorless to light yellow liquid with a characteristic odor is soluble in most organic solvents and is commonly used in organic synthesis as a reagent or intermediate for the production of various pharmaceuticals and agrochemicals. Additionally, it serves as a building block in the manufacture of dyes, pigments, and other specialty chemicals.

50741-47-4

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50741-47-4 Usage

Uses

Used in Pharmaceutical Industry:
4-Isoquinolinecarboxylic acid, ethyl ester is used as a reagent or intermediate for the synthesis of various pharmaceutical compounds, contributing to the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
This ester derivative is also utilized as a reagent or intermediate in the production of agrochemicals, playing a role in the creation of pesticides and other agricultural products to enhance crop protection and yield.
Used in Dye and Pigment Manufacturing:
4-Isoquinolinecarboxylic acid, ethyl ester serves as a building block in the manufacture of dyes and pigments, which are essential for coloring textiles, plastics, and various other materials.
Used in Specialty Chemicals Production:
It is employed in the production of specialty chemicals, which have unique applications in industries such as coatings, inks, and cosmetics, due to their specific properties and characteristics.
It is important to handle 4-Isoquinolinecarboxylic acid, ethyl ester with care, as it may be harmful if swallowed or inhaled, and it can cause irritation to the skin and eyes upon contact.

Check Digit Verification of cas no

The CAS Registry Mumber 50741-47-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,7,4 and 1 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 50741-47:
(7*5)+(6*0)+(5*7)+(4*4)+(3*1)+(2*4)+(1*7)=104
104 % 10 = 4
So 50741-47-4 is a valid CAS Registry Number.
InChI:InChI=1/C12H11NO2/c1-2-15-12(14)11-8-13-7-9-5-3-4-6-10(9)11/h3-8H,2H2,1H3

50741-47-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl isoquinoline-4-carboxylate

1.2 Other means of identification

Product number -
Other names 4-ethoxycarbonylisoquinoline

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:50741-47-4 SDS

50741-47-4Downstream Products

50741-47-4Relevant academic research and scientific papers

Tandem Tetrahydroisoquinoline-4-carboxylic Acid/β-Alanine as a New Construct Able To Induce a Flexible Turn

Bucci, Raffaella,Bonetti, Andrea,Clerici, Francesca,Contini, Alessandro,Nava, Donatella,Pellegrino, Sara,Tessaro, Davide,Gelmi, Maria Luisa

, p. 10822 - 10831 (2017)

Tetrahydroisoquinoline-4-carboxylic acid, a constrained β2-amino acid named β-TIC, was synthesised for the first time in enantiopure form. The biocatalytic route applied herein represents one of the few successful examples of enzymatic resolution of β2-amino acids. Model tetrapeptides, namely, Fmoc-l-Ala-β-TIC-β-Ala-l-Val-OBn (Fmoc=fluorenylmethyloxycarbonyl, Bn=benzyl), containing both isomers of β-TIC, were prepared. Both computational and NMR spectroscopy studies were performed. A reverse-turn conformation was observed in the case of (R)-β-TIC enantiomer that was obtained in 99 % enantiomeric excess by enzymatic resolution. The β-TIC/β-Ala construct represents the first example of a flexible turn mimetic containing a cyclic and an acyclic β-amino acid. Furthermore, the presence of an aromatic ring of β-TIC could facilitate non-covalent interactions to increase the potential of this scaffold for the preparation of protein–protein interaction modulators.

Decahydro-isoquinolines

-

, (2008/06/13)

The invention provides compounds of formula (I), wherein A, B and R are as defined in the description, and the preparation thereof. The compounds of formula (I) are useful as somatostatin receptor antagonists.

PALLADIUM CATALYSED SYNTHESIS OF N AND S HETEROCYCLIC ESTERS

Head, Robert A.,Ibbotson, Arthur

, p. 5939 - 5942 (2007/10/02)

Palladium catalysed alkoxycarbonylation of heterocyclic halides affords a simple and versatile synthesis of both N and S heterocyclic esters where a range of catalysts have been studied and a method to employ inexpensive inorganic bases has been found.

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