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8-Methyl-3,4-dihydroisoquinolin-1(2H)-one, also known as 8-Methyl-1,2,3,4-tetrahydroisoquinolin-1-one, is a heterocyclic chemical compound belonging to the class of isoquinolinones. It is derived from isoquinoline and has the molecular formula C10H11NO. This white to off-white solid exhibits a melting point of 96-98°C and is sparingly soluble in water. As a versatile starting material in research, it has been utilized for the synthesis of various pharmaceutical compounds and serves as a building block for developing novel pharmacologically active substances. Further research is essential to explore its full potential applications and properties.

1082041-79-9

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1082041-79-9 Usage

Uses

Used in Pharmaceutical Research:
8-Methyl-3,4-dihydroisoquinolin-1(2H)-one is used as a starting material for the synthesis of various pharmaceutical compounds. Its unique chemical structure and properties make it a valuable component in the development of new drugs with potential therapeutic applications.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 8-Methyl-3,4-dihydroisoquinolin-1(2H)-one is employed as a building block for the creation of novel pharmacologically active substances. Its ability to be modified and combined with other chemical entities allows for the design and synthesis of new molecules with potential therapeutic effects.
Used in Drug Discovery:
8-Methyl-3,4-dihydroisoquinolin-1(2H)-one is utilized in drug discovery processes to identify and optimize potential drug candidates. Its unique structural features and chemical properties make it a promising candidate for the development of new therapeutic agents targeting various diseases and conditions.
Used in Chemical Synthesis:
8-Methyl-3,4-dihydroisoquinolin-1(2H)-one is used as an intermediate in the chemical synthesis of various organic compounds. Its reactivity and functional groups enable it to participate in a wide range of chemical reactions, facilitating the synthesis of complex molecules with diverse applications.
Used in Biochemical Research:
In biochemical research, 8-Methyl-3,4-dihydroisoquinolin-1(2H)-one is employed as a tool to study enzyme mechanisms, receptor interactions, and other biological processes. Its ability to modulate biological systems provides insights into the underlying mechanisms of various diseases and potential therapeutic targets.
Used in Analytical Chemistry:
8-Methyl-3,4-dihydroisoquinolin-1(2H)-one is used in analytical chemistry for the development of new methods and techniques for the detection and quantification of various compounds. Its unique chemical properties make it a valuable component in the design of novel analytical assays and sensors.
Used in Material Science:
In the field of material science, 8-Methyl-3,4-dihydroisoquinolin-1(2H)-one is explored for its potential applications in the development of new materials with specific properties. Its ability to form complexes and interact with other molecules opens up possibilities for creating materials with unique characteristics for various applications.
Used in Environmental Science:
8-Methyl-3,4-dihydroisoquinolin-1(2H)-one is employed in environmental science for the development of methods to detect and remediate environmental pollutants. Its chemical properties make it a promising candidate for the design of sensors and other tools to monitor and mitigate environmental contamination.

Check Digit Verification of cas no

The CAS Registry Mumber 1082041-79-9 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,8,2,0,4 and 1 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1082041-79:
(9*1)+(8*0)+(7*8)+(6*2)+(5*0)+(4*4)+(3*1)+(2*7)+(1*9)=119
119 % 10 = 9
So 1082041-79-9 is a valid CAS Registry Number.

1082041-79-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 8-methyl-3,4-dihydro-2H-isoquinolin-1-one

1.2 Other means of identification

Product number -
Other names 8-Methyl-3,4-dihydroisoquinolin-1(2H)-one

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:1082041-79-9 SDS

1082041-79-9Relevant academic research and scientific papers

A Synthesis of 3,4-Dihydroisoquinolin-1(2H)-one via the Rhodium-Catalyzed Alkylation of Aromatic Amides with N-Vinylphthalimide

He, Qiyuan,Chatani, Naoto

, p. 13587 - 13594 (2018)

The alkylation of C-H bonds with N-vinylphthalimide by a rhodium-catalyzed reaction of aromatic amides containing an 8-aminoquinoline moiety as the directing group is reported. N-Vinylphthalimide functions as a 2-aminoethylating reagent. The resulting alkylated products can be converted into 3,4-dihydroisoquinolin-1(2H)-one derivatives in a one-pot transformation. Deuterium-labeling experiments suggest that the reaction proceeds through a carbene mechanism.

Cobalt-catalysed C–H methylation for late-stage drug diversification

Ackermann, Lutz,Friis, Stig D.,Johansson, Magnus J.

, p. 511 - 519 (2020/06/05)

The magic methyl effect is well acknowledged in medicinal chemistry, but despite its significance, accessing such analogues via derivatization at a late stage remains a pivotal challenge. In an effort to mitigate this major limitation, we here present a strategy for the cobalt-catalysed late-stage C–H methylation of structurally complex drug molecules. Enabling broad applicability, the transformation relies on a boron-based methyl source and takes advantage of inherently present functional groups to guide the C–H activation. The relative reactivity observed for distinct classes of functionalities were determined and the sensitivity of the transformation towards a panel of common functional motifs was tested under various reaction conditions. Without the need for prefunctionalization or postdeprotection, a diverse array of marketed drug molecules and natural products could be methylated in a predictable manner. Subsequent physicochemical and biological testing confirmed the magnitude with which this seemingly minor structural change can affect important drug properties. [Figure not available: see fulltext.]

ARYL AND HETEROARYL FUSED LACTAMS

-

Paragraph 0874; 0876, (2014/07/08)

This invention relates to compounds of general formula (I) in which R1, R2, U, V, L, M, R5, m, X, Y and Z are as defined herein, and the pharmaceutically acceptable salts thereof, to pharmaceutical compositions comprising such compounds and salts, and to methods of using such compounds, salts and compositions for the treatment of abnormal cell growth, including cancer.

Activation of electrophilicity of stable Y-delocalized carbamate cations in intramolecular aromatic substitution reaction: Evidence for formation of diprotonated carbamates leading to generation of isocyanates

Kurouchi, Hiroaki,Kawamoto, Kyoko,Sugimoto, Hiromichi,Nakamura, Satoshi,Otani, Yuko,Ohwada, Tomohiko

, p. 9313 - 9328,16 (2012/12/11)

Although cations with three heteroatoms, such as monoprotonated guanidine and urea, are stabilized by Y-shaped conjugation and such Y-conjugated cations are sufficiently basic to be further protonated (or protosolvated) to dications in strongly acid media, only O-monoprotonated species have been detected in the case of carbamates even in magic acid. We found that the trifluoromethanesulfonic acid-catalyzed cyclization of arylethylcarbamates proceeds to afford dihydroisoquinolones in high yield. In strong acids, methyl carbamates are fully O-monoprotonated, and these monocations do not undergo cyclization even under heating. But, as the acidity of the reaction medium is further increased, the cyclization reaction of methyl phenethylcarbamates starts to proceed as a first-order reaction, with a linear relationship between rate and acidity. The sign and magnitude of the entropy of activation ΔS ? were found to be similar to those of other AAc1 reactions. These results strongly support the idea that further protonation of the O-protonated carbamates is involved in the cyclization, but the concentration of the dications is very low and suggests that the rate-determining step is dissociation of methanol from the diprotonated carbamate to generate protonated isocyanate, which reacts with the aromatic ring. Therefore, O-protonated carbamates are weak bases in sharp contrast to other Y-shaped monocations.

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