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1(2H)-Isoquinolinone, 3-(phenylmethyl)-, also known as Tetrahydroisoquinoline or THIQ, is a chemical compound with the molecular formula C15H13NO. It is an organic compound that is commonly used in medicinal chemistry and drug development as a building block for various pharmaceuticals. THIQ is a bicyclic compound that contains a nitrogen heteroatom, and its structure makes it a versatile intermediate in organic synthesis. It has been studied for its potential therapeutic applications in the treatment of various neurological and psychiatric disorders, including addiction, depression, and schizophrenia. Additionally, THIQ has been investigated for its analgesic and anti-inflammatory properties, making it a valuable target for further research and drug discovery efforts.

787-46-2

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787-46-2 Usage

Uses

Used in Pharmaceutical Industry:
1(2H)-Isoquinolinone, 3-(phenylmethyl)is used as a building block for the development of various pharmaceuticals due to its versatile intermediate structure in organic synthesis.
Used in Medicinal Chemistry:
1(2H)-Isoquinolinone, 3-(phenylmethyl)is used as a precursor in the synthesis of other biologically active compounds, contributing to the development of new drugs.
Used in Treatment of Neurological and Psychiatric Disorders:
1(2H)-Isoquinolinone, 3-(phenylmethyl)is used as a potential therapeutic agent for the treatment of various neurological and psychiatric disorders, such as addiction, depression, and schizophrenia, due to its studied effects on these conditions.
Used in Analgesic and Anti-inflammatory Applications:
1(2H)-Isoquinolinone, 3-(phenylmethyl)is used for its analgesic and anti-inflammatory properties, making it a valuable target for the development of new pain relief and inflammation management drugs.

Check Digit Verification of cas no

The CAS Registry Mumber 787-46-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,8 and 7 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 787-46:
(5*7)+(4*8)+(3*7)+(2*4)+(1*6)=102
102 % 10 = 2
So 787-46-2 is a valid CAS Registry Number.

787-46-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-benzyl-2H-isoquinolin-1-one

1.2 Other means of identification

Product number -
Other names CTK2G4986

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:787-46-2 SDS

787-46-2Relevant academic research and scientific papers

Design, synthesis, and evaluation of tetrasubstituted pyridines as potent 5-HT2C receptor agonists

Rouquet, Guy,Moore, Dianna E.,Spain, Malcolm,Allwood, Daniel M.,Battilocchio, Claudio,Blakemore, David C.,Fish, Paul V.,Jenkinson, Stephen,Jessiman, Alan S.,Ley, Steven V.,McMurray, Gordon,Storer, R. Ian

, p. 329 - 333 (2015)

A series of pyrido[3,4-d]azepines that are potent and selective 5-HT2C receptor agonists is disclosed. Compound 7 (PF-04781340) is identified as a suitable lead owing to good 5-HT2C potency, selectivity over 5-HT2B agonism, and in vitro ADME properties commensurate with an orally available and CNS penetrant profile. The synthesis of a novel bicyclic tetrasubstituted pyridine core template is outlined, including rationale to account for the unexpected formation of aminopyridine 13 resulting from an ammonia cascade cyclization.

Cobaltaelectro-catalyzed oxidative allene annulation by electro-removable hydrazides

Mei, Ruhuai,Fang, Xinyue,He, Liang,Sun, Junmei,Zou, Liang,Ma, Wenbo,Ackermann, Lutz

, p. 1393 - 1396 (2020)

An efficient C-H/N-H functionalization with allenes was enabled via versatile electro-oxidative cobalt catalysis. Thus, electrochemical C-H activations were accomplished with high levels of chemoselectivity and regioselectivity in an operationally simple

Palladium-Catalyzed Regioselective C-H Functionalization/Annulation Reaction of Amides and Allylbenzenes for the Synthesis of Isoquinolinones and Pyridinones

Zhong, Rong,Xu, Yong,Sun, Manman,Wang, Yurong

, p. 5255 - 5264 (2021/05/05)

A regioselective C-H functionalization/annulation reaction of N-sulfonyl amides and allylbenzenes through a palladium-catalyzed C(sp2)-H allylation/aminopalladation/β-H elimination/isomerization sequence has been reported. Various aryl and alkenyl carboxamides are found to be efficient substrates to construct isoquinolinones and pyridinones in up to 96% yield. Using ambient air as the terminal oxidant is another advantage regarding environmental friendliness and operational simplicity.

Polysubstituted isoquinoline-1(2H)-one derivative and preparation method thereof

-

Paragraph 0044-0045, (2020/02/14)

The invention discloses a polysubstituted isoquinoline-1(2H)-one derivative and a preparation method thereof, and relates to the fields of organic synthesis and electrochemistry. The polysubstituted isoquinoline-1(2H)-one derivative has a structure repres

Isoquinolinone derivatives

-

, (2008/06/13)

Derivatives of isoquinolinone and dihydrolisoquinolinone, and related compounds, and their use as pharmaceuticals in the treatment of a disease by inhibition of the enzyme poly(ADP-ribose)polymerase (“PARP”) are disclosed.

A direct anionic cyclization of 2-alkynylbenzonitrile to 3- substituted-1(2H)-isoquinolones and 3-benzylideneisoindol-2ones initiated by methoxide addition

Wu, Ming-Jung,Chang, Li-Juan,Wei, Li-Mei,Lin, Chi-Fong

, p. 13193 - 13200 (2007/10/03)

Treatment of 2-(2-alkylethynyl)benzonitrile with sodium methoxide in refluxing methanol for 12 h gave 3-alkyl-1(2H)- isoquinolone in modest yield. Under the same reaction conditions, methanolysis of 2-(2-arylethynyl)benzonitrile lead to the formation of 3

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