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2-(1,3-dioxoisoindolin-2-yl)acetonitrile is a chemical compound with the molecular formula C12H8N2O2. It belongs to the class of organic compounds known as isobenzofurans, which are aromatic compounds containing an isobenzofuran moiety. Its exact properties, such as boiling point, melting point, and density, can be determined through various experimental methods.

3842-20-4

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3842-20-4 Usage

Uses

2-(1,3-dioxoisoindolin-2-yl)acetonitrile is used as a reagent or intermediate in chemical reactions for the synthesis of various organic compounds. Its applications can be found in different industries, such as pharmaceuticals, materials science, and agrochemicals, where it serves as a building block for the development of new molecules with potential applications.
Used in Pharmaceutical Industry:
2-(1,3-dioxoisoindolin-2-yl)acetonitrile is used as a synthetic intermediate for the preparation of pharmaceutical compounds. It can be incorporated into the molecular structure of drug candidates, potentially leading to the discovery of new therapeutic agents with improved efficacy and safety profiles.
Used in Materials Science:
2-(1,3-dioxoisoindolin-2-yl)acetonitrile is used as a component in the synthesis of advanced materials, such as polymers and composites, with tailored properties for specific applications. Its incorporation into these materials can enhance their performance, such as mechanical strength, thermal stability, or electrical conductivity.
Used in Agrochemical Industry:
2-(1,3-dioxoisoindolin-2-yl)acetonitrile is used as a building block in the development of agrochemicals, such as pesticides and herbicides. Its presence in the molecular structure of these compounds can contribute to their effectiveness in controlling pests and weeds, ultimately leading to increased crop yields and agricultural productivity.

Check Digit Verification of cas no

The CAS Registry Mumber 3842-20-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,8,4 and 2 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 3842-20:
(6*3)+(5*8)+(4*4)+(3*2)+(2*2)+(1*0)=84
84 % 10 = 4
So 3842-20-4 is a valid CAS Registry Number.
InChI:InChI=1/C10H6N2O2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,6H2

3842-20-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(1,3-dioxoisoindol-2-yl)acetonitrile

1.2 Other means of identification

Product number -
Other names 2H-Isoindole-2-acetonitrile, 1,3-dihydro-1,3-dioxo-

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:3842-20-4 SDS

3842-20-4Relevant academic research and scientific papers

2-(aminomethyl)thiazolyl-5-nitrile and synthesis method thereof

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Paragraph 0008; 0025-0027; 0042-0044; 0059-0061, (2020/11/12)

The invention belongs to the technical field of organic synthesis, and relates to 2-(aminomethyl)thiazolyl-5-nitrile and a synthesis method thereof. The method comprises the following steps: by takingaminoacetonitrile hydrochloride as a raw material, carrying out eight steps of reactions including substitution, amination, substitution, amination, Boc addition reaction, substitution, substitutionand Boc removal reaction to prepare the 2-(aminomethyl)thiazolyl-5-nitrile. An efficient synthesis method is provided for synthesis of the compound.

Reactions of β-diketone compounds with nitriles catalyzed by Lewis acids: A simple approach to β-enaminone synthesis

Cheng, Xu,Pei, Shuchen,Xue, Chenchen,Cao, Kaifei,Hai, Li,Wu, Yong

, p. 63897 - 63900 (2015/02/19)

Aluminium chloride selectively promoted the nucleophilic attack of β-diketone compounds with nitriles to give enaminones. Moreover a plausible mechanism for this transformation was given.

The synthesis and evaluation of flavone and isoflavone chimeras of novobiocin and derrubone

Mays, Jared R.,Hill, Stephanie A.,Moyers, Justin T.,Blagg, Brian S.J.

experimental part, p. 249 - 266 (2010/04/05)

The natural products novobiocin and derrubone have both demonstrated Hsp90 inhibition and structure-activity relationships have been established for each scaffold. Given these compounds share several key structural features, we hypothesized that incorporation of elements from each could provide insight to structural features important for Hsp90 inhibition. Thus, chimeric analogues of novobiocin and derrubone were constructed and evaluated. These studies confirmed that the functionality present at the 3-position of the isoflavone plays a critical role in determining Hsp90 inhibition and suggests that the bicyclic ring system present in both novobiocin and derrubone do not share similar modes of binding.

New thiazole derivatives as potent and selective 5-hydroxytriptamine 3 (5-HT3) receptor agonists for the treatment of constipation

Imanishi, Naoki,Iwaoka, Kiyoshi,Koshio, Hiroyuki,Nagashima, Shin-Ya,Kazuta, Ken-Ichi,Ohta, Mitsuaki,Sakamoto, Shuichi,Ito, Hiroyuki,Akuzawa, Shinobu,Kiso, Tetsuo,Tsukamoto, Shin-Ichi,Mase, Toshiyasu

, p. 1493 - 1502 (2007/10/03)

The syntheses and biological evaluation of a series of novel indeno[1,2-d]thiazole derivatives are described. Several groups reported 5-HT3 receptor agonists which were mainly evaluated for their activities on the von Bezold-Jarisch reflex (B-J reflex). We discovered that tetrahydrothiazolopyridine derivative 1b had a contractile effect on the isolated guinea pig colon with weak B-J reflex. Our efforts to find a new type of 5-HT3 receptor agonists on the isolated guinea pig colon focused on the synthesis of a fused thiazole derivative 1d modified from 1b and reverse-fused thiazole derivatives (7-10). In this series, 10f (YM-31636) showed high affinity and selectivity for the cloned human 5-HT3 receptor; furthermore, it showed potent and selective 5-HT3 receptor agonistic activity. YM-31636 was examined for its effects on defecation in animals, thus evaluating the compound as an agent against constipation.

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