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CAS

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101004-95-9

(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)(PHENYL)ACETIC ACID, a chemical compound with the molecular formula C17H15NO3, is a white to off-white powder. It has a molecular weight of 281.3 g/mol. (1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)(PHENYL)ACETIC ACID serves as a building block in organic synthesis and is utilized in the production of pharmaceuticals and agrochemicals. Its potential as an enzyme inhibitor in certain biological processes makes it a valuable tool in biochemical and pharmacological research. Furthermore, it has been found to possess anti-inflammatory and analgesic properties, positioning it as a promising candidate for the development of new therapeutic agents.

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  • 101004-95-9 Structure

  • Basic information

    1. Product Name: (1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)(PHENYL)ACETIC ACID
    2. Synonyms: (1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)(PHENYL)ACETIC ACID;2-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-2-PHENYLACETIC ACID;1,3-DIHYDRO-1-OXO-ALPHA-PHENYL-2H-ISOINDOLE-2-ACETIC ACID;2-(1-Oxoisoindolin-2-yl)-2-phenylacetic acid
    3. CAS NO:101004-95-9
    4. Molecular Formula: C16H13NO3
    5. Molecular Weight: 267.28
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 101004-95-9.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 500.3°Cat760mmHg
    3. Flash Point: 256.4°C
    4. Appearance: /
    5. Density: 1.361g/cm3
    6. Vapor Pressure: 7.89E-11mmHg at 25°C
    7. Refractive Index: 1.664
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 3.11±0.10(Predicted)
    11. CAS DataBase Reference: (1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)(PHENYL)ACETIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: (1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)(PHENYL)ACETIC ACID(101004-95-9)
    13. EPA Substance Registry System: (1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)(PHENYL)ACETIC ACID(101004-95-9)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 101004-95-9(Hazardous Substances Data)

101004-95-9 Usage

Uses

Used in Organic Synthesis:
(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)(PHENYL)ACETIC ACID is used as a building block in organic synthesis for the creation of various chemical compounds.
Used in Pharmaceutical Production:
In the pharmaceutical industry, (1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)(PHENYL)ACETIC ACID is used as a key component in the development of new drugs, leveraging its enzyme inhibitory properties.
Used in Agrochemical Production:
(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)(PHENYL)ACETIC ACID is also utilized in the production of agrochemicals, where it may contribute to the development of new pesticides or other agricultural products.
Used in Biochemical Research:
(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)(PHENYL)ACETIC ACID is used as a research tool in biochemical studies, particularly for investigating its potential as an enzyme inhibitor in biological processes.
Used in Development of Therapeutic Agents:
Due to its anti-inflammatory and analgesic properties, (1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)(PHENYL)ACETIC ACID is used in the development of new therapeutic agents for treating inflammation and pain.

Check Digit Verification of cas no

The CAS Registry Mumber 101004-95-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,1,0,0 and 4 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 101004-95:
(8*1)+(7*0)+(6*1)+(5*0)+(4*0)+(3*4)+(2*9)+(1*5)=49
49 % 10 = 9
So 101004-95-9 is a valid CAS Registry Number.
InChI:InChI=1/C16H13NO3/c18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)

101004-95-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid

1.2 Other means of identification

Product number -
Other names 2-(1'-oxo-isoindoline)-2-phenylethanoic acid

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:101004-95-9 SDS

101004-95-9Relevant articles and documents

Discovery of Potent and Noncovalent Reversible EGFR Kinase Inhibitors of EGFRL858R/T790M/C797S

Li, Qiannan,Zhang, Tao,Li, Shiliang,Tong, Linjiang,Li, Junyu,Su, Zhicheng,Feng, Fang,Sun, Deheng,Tong, Yi,Wang, Xia,Zhao, Zhenjiang,Zhu, Lili,Ding, Jian,Li, Honglin,Xie, Hua,Xu, Yufang

supporting information, p. 869 - 873 (2019/06/08)

In this paper, we describe the discovery and optimization of a series of noncovalent reversible epidermal growth factor receptor inhibitors of EGFRL858R/T790M/C797S. One of the most promising compounds, 25g, inhibited the enzymatic activity of EGFRL858R/T790M/C797S with an IC50 value of 2.2 nM. Cell proliferation assays showed that 25g effectively and selectively inhibited the growth of EGFRL858R/T790M/C797S-dependent cells. This series of compounds, which occupy both the ATP binding site and the allosteric site of the EGFR kinase, may serve as a basis for the development of fourth-generation EGFR inhibitors for L858R/T790M/C797S mutants.

A Simple One-step Synthesis of N-Substituted Isoindolin-1-ones. Diastereofacially Selective Protonation of an Intermediate Isoindolinol

Grigg, Ronald,Gunaratne, H. Q. Nimal,Sridharan, Visuvanathar

, p. 1183 - 1184 (2007/10/02)

α-Amino acids and their methyl esters, arylamines, heterocyclic amines and, less efficiently, aryl substituted aliphatic amines, react with o-phthaldialdehyde in the presence of acetic acid to give N-substituted isoindolin-1-ones in excellent yield; deute

Synthesis of the 5H-Pyrroloisoindole Ring with 1,3-Dipolar Cycloaddition Reactions

New, J. S.,Yevich, J. P.

, p. 1355 - 1360 (2007/10/02)

The 1,3-dipolar cycloaddition reaction between mesoionic oxazolines, formed from either 1,3-dihydro-2-substituted-2H-isoindole-1-carboxylic acids or 1,3-dihydro-1-oxo-α-substituted-2H-isoindole-2-acetic acids, and dimethylacetylene dicarboxylate has led t

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