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1(2H)-Isoquinolinone,2-(2-propenyl)-(9CI), also known as 2-(2-propenyl)isoquinolin-1(2H)-one, is a chemical compound belonging to the isoquinolinone derivative class. It has a molecular formula of C12H11NO and is characterized by its pale yellow liquid appearance at room temperature. 1(2H)-Isoquinolinone,2-(2-propenyl)-(9CI) is soluble in organic solvents and is widely recognized for its potential applications in the field of medicinal chemistry and drug development, thanks to its unique structural features and reactivity.

7697-69-0

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7697-69-0 Usage

Uses

Used in Pharmaceutical Synthesis:
1(2H)-Isoquinolinone,2-(2-propenyl)-(9CI) is used as an intermediate in the synthesis of various pharmaceuticals and organic compounds. Its structural properties and reactivity make it a valuable component in the development of new drugs and medications.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 1(2H)-Isoquinolinone,2-(2-propenyl)-(9CI) is utilized for its potential applications in drug development. Its unique structural features and reactivity contribute to the design and synthesis of novel therapeutic agents.
Note: The information provided is for informational purposes only and should not be considered as a recommendation for use.

Check Digit Verification of cas no

The CAS Registry Mumber 7697-69-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,6,9 and 7 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 7697-69:
(6*7)+(5*6)+(4*9)+(3*7)+(2*6)+(1*9)=150
150 % 10 = 0
So 7697-69-0 is a valid CAS Registry Number.

7697-69-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-prop-2-enylisoquinolin-1-one

1.2 Other means of identification

Product number -
Other names 1(2h)-isoquinolinone,2-(2-propenyl)

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:7697-69-0 SDS

7697-69-0Downstream Products

7697-69-0Relevant academic research and scientific papers

Iodine-catalyzed sulfuration of isoquinolin-1(2H)-ones applying ethyl sulfinates

Mu, Yangxiu,Yang, Minghua,Li, Fengxia,Iqbal, Zafar,Jiang, Rui,Hou, Jing,Guo, Xin,Yang, Zhixiang,Tang, Dong

supporting information, p. 4934 - 4937 (2021/03/26)

An efficient sulfuration of isoquinolin-1(2H)-ones at the C-4 position is reported by employing ethyl sulfinates, and the corresponding products are obtained in moderate to excellent yields in the presence of iodine. This synthetic strategy provides a range of thioether-isoquinolin-1(2H)-ones while tolerating a number of functional groups on the isoquinoline nitrogen atom and benzene ring. In addition, pyridin-2(1H)-one is also reacted smoothly and afforded the corresponding thioether product in moderate yield. A plausible mechanism is suggested based on the preliminary mechanistic studies.

Integrating Allyl Electrophiles into Nickel-Catalyzed Conjunctive Cross-Coupling

Derosa, Joseph,Engle, Keary M.,Gallagher, Timothy J.,Li, Zi-Qi,Liu, Peng,Tran, Van T.

supporting information, p. 7029 - 7034 (2020/03/23)

Allylation and conjunctive cross-coupling represent two useful, yet largely distinct, reactivity paradigms in catalysis. The union of these two processes would offer exciting possibilities in organic synthesis but remains largely unknown. Herein, we repor

Base-promoted aerobic oxidation of: N -alkyl iminium salts derived from isoquinolines and related heterocycles

Bai, Li-Gang,Zhou, Yue,Zhuang, Xin,Zhang, Liang,Xue, Jian,Lin, Xiao-Long,Cai, Tian,Luo, Qun-Li

supporting information, p. 197 - 203 (2020/01/13)

Potassium tert-butoxide-promoted aerobic oxidation of N-alkyl iminium salts is reported. The reaction is atom-economical and environmentally friendly. Iminium salts derived from isoquinoline, quinoline, phenanthridine, phenanthroline, and phthalazine were successfully transformed into their corresponding unsaturated lactams with up to 95% yield under mild conditions in the absence of photocatalysts and metallic or organic catalysts. Owing to the general substrate scope, low cost, feasibility of scale up, wide availability of reagents, and green reaction conditions, this method shows great potential for preparing isoquinolones and related compounds. The method was applied for atom- and step-economical total synthesis of natural products such as norketoyobyrine.

Carbene-catalyzed aerobic oxidation of isoquinolinium salts: Efficient synthesis of isoquinolinones

Wang, Guanjie,Hu, Wanyao,Hu, Zhouli,Zhang, Yuxia,Yao, Wei,Li, Lin,Fu, Zhenqian,Huang, Wei

, p. 3302 - 3307 (2018/07/29)

A mild and environmentally friendly carbene-catalyzed aerobic oxidation of isoquinolinium salts was successfully realized. Accordingly, a diverse set of isoquinolinones and phenanthridinones was efficiently prepared in good to excellent yields. The mechanistic study indicates that the formation of an aza-Breslow intermediate is the crucial step in this transformation. This reaction features ambient air as the sole oxidant and oxygen source, a broad substrate scope, and excellent functional-group tolerance and proceeds under mild reaction conditions. Furthermore, a highly efficient synthesis of bioactive molecules and natural products including N-methylcrinasiadine, N-isopentylcrinasiadine, N-phenethylcrinasiadine, isoindolo[2,1-b]isoquinolin-5(7H)-one, PJ-34, rac-Gusanlung D, rosettacin, 8-oxopseudopalmatine and ilicifoline B was accomplished.

An organocatalyst bound α-aminoalkyl radical intermediate for controlled aerobic oxidation of iminium ions

Motaleb, Abdul,Bera, Asish,Maity, Pradip

supporting information, p. 5081 - 5085 (2018/07/29)

A catalyst bound α-aminoalkyl radical intermediate from iminium is developed to control its formation and reactivity with aerobic oxygen. The influence of the catalyst was demonstrated via the ease of radical intermediate formation and its subsequent reactivity, including the first catalyst-controlled enantioselective aerobic oxidation with a chiral phosphite catalyst.

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