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4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid, a carboxylic acid derivative of benzoic acid, is a chemical compound with the molecular formula C13H11NO3 and a molecular weight of 225.23 g/mol. It is known for its potential biological activities and applications in various industries.

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  • 36151-44-7 Structure
  • Basic information

    1. Product Name: 4-(2-OXO-PYRROLIDIN-1-YL)-BENZOIC ACID
    2. Synonyms: benzoic acid, 4-(2-oxo-1-pyrrolidinyl)-;4-(2-oxopyrrolidin-1-yl)benzoic acid(SALTDATA: FREE);4-(2-ketopyrrolidin-1-yl)benzoic acid;4-(2-oxo-1-pyrrolidinyl)benzoic acid
    3. CAS NO:36151-44-7
    4. Molecular Formula: C11H11NO3
    5. Molecular Weight: 205.22
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 36151-44-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 507.1 °C at 760 mmHg
    3. Flash Point: 260.5 °C
    4. Appearance: /
    5. Density: 1.341 g/cm3
    6. Vapor Pressure: 4.17E-11mmHg at 25°C
    7. Refractive Index: 1.616
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(2-OXO-PYRROLIDIN-1-YL)-BENZOIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(2-OXO-PYRROLIDIN-1-YL)-BENZOIC ACID(36151-44-7)
    12. EPA Substance Registry System: 4-(2-OXO-PYRROLIDIN-1-YL)-BENZOIC ACID(36151-44-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 36151-44-7(Hazardous Substances Data)

36151-44-7 Usage

Uses

Used in Pharmaceutical Industry:
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid is used as a building block for the synthesis of various drugs and medications. Its unique chemical structure allows it to be incorporated into the development of new pharmaceutical compounds.
Used in Medicinal Chemistry Research:
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid is used as a research compound for studying its potential biological activities, such as anti-inflammatory and analgesic properties. This helps in the discovery of new therapeutic agents with improved efficacy and safety profiles.
Used in Material Science:
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid has been investigated for its potential use in the development of new materials and chemical processes. Its unique chemical properties may contribute to the creation of innovative materials with specific applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 36151-44-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,6,1,5 and 1 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 36151-44:
(7*3)+(6*6)+(5*1)+(4*5)+(3*1)+(2*4)+(1*4)=97
97 % 10 = 7
So 36151-44-7 is a valid CAS Registry Number.
InChI:InChI=1/C11H11NO3/c13-10-2-1-7-12(10)9-5-3-8(4-6-9)11(14)15/h3-6H,1-2,7H2,(H,14,15)

36151-44-7SDS

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 4-(2-oxopyrrolidin-1-yl)benzoic acid

1.2 Other means of identification

Product number -
Other names -

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:36151-44-7 SDS

36151-44-7Relevant articles and documents

Ring size changes in the development of class I HDAC inhibitors

Cho, Er-Chieh,Liu, Chi-Yuan,Tang, Di-Wei,Lee, Hsueh-Yun

, p. 1387 - 1401 (2021/07/06)

Five pathways involving different ring structures led to generation of fourteen thienylbenzamides (7–20) which display the structure-activity relationships of class I HDAC inhibitors. All the synthesised compounds inhibit HDAC1 and HDAC2 selectively over other isoforms and many inhibit DLD1 and HCT116 cells more effectively than a parent compound. Compounds 8 and 16 inhibit HCT116 cells by activation of the apoptosis pathway.

Design, synthesis and biological evaluation of anthranilamide derivatives as potential factor Xa (fXa) inhibitors

Xing, Junhao,Yang, Lingyun,Zhou, Jinpei,Zhang, Huibin

, p. 5987 - 5999 (2018/11/23)

Factor Xa (fXa) is a crucial player in various thromboembolic disorders. Inhibition of fXa can provide safe and effective antithrombotic effects. In this study, a series of anthranilamide compounds were designed by utilizing structure-based design strategies. Optimization at P1 and P4 groups led to the discovery of compound 16g: a highly potent, selective fXa inhibitor with pronounced in vitro anticoagulant activity. Moreover, 16g also displayed excellent in vivo antithrombotic activity in the rat venous thrombosis (VT) and arteriovenous shunt (AV-SHUNT) models. The bleeding risk evaluation showed that 16g had a safer profile than that of betrixaban at 1 mg/kg and 5 mg/kg dose. Additionally, 16g also exhibited satisfactory PK profiles. Eventually, 16g was selected to investigate its effect on hypoxia-reoxygenation- induced H9C2 cell viability. MTT results showed that H9C2 cell viability can be remarkably alleviated by 16g.

3,4-dibenzamido benzamide derivative, preparation method and application thereof

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Paragraph 0161; 0166, (2016/12/22)

The invention discloses a 3,4-dibenzamido benzamide derivative (I), wherein R1, R2 and R3 are respectively and individually hydrogen, fluorine, chlorine, bromine, hydroxyl groups, alkoxy groups, amino groups or substituted amino groups. The alkoxy groups

NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE

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Page/Page column 34, (2010/07/04)

The present invention relates to piperazine derivatives that act as inhibitors of stearoyl-CoA desaturase. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE

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Page/Page column 90, (2009/10/01)

The present invention relates to piperidine derivatives that act as inhibitors of stearoyl-CoA desaturase. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa

Qiao, Jennifer X.,Chang, Chong-Hwan,Cheney, Daniel L.,Morin, Paul E.,Wang, Gren Z.,King, Sarah R.,Wang, Tammy C.,Rendina, Alan R.,Luettgen, Joseph M.,Knabb, Robert M.,Wexler, Ruth R.,Lam, Patrick Y.S.

, p. 4419 - 4427 (2008/02/10)

In the search of Factor Xa (FXa) inhibitors structurally different from the pyrazole-based series, we identified a viable series of enantiopure cis-(1R,2S)-cycloalkyldiamine derivatives as potent and selective inhibitors of FXa. Among them, cyclohexyldiam

PROCESS FOR PRODUCING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE

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Page/Page column 18, (2008/06/13)

The present invention provides a process of preparing a compound of the formula [I]: wherein X is a group of the formula: -N="or" -CH=; R1 is a hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxy group, a cyano group or an amino group optionally substituted by a lower alkyl group; Ring A is a nitrogen-containing heterocyclic group; Ring B is an optionally substituted benzene ring or an optionally substituted pyridine ring; and R3 is a hydrogen atom or a lower alkyl group, or a pharmaceutically acceptable salt thereof , which is useful as an inhibitor of activated blood coagulation factor X.

NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS

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Page/Page column 99-100, (2010/02/13)

The invention relates to the novel substituted carboxamides of general formula (I), wherein A, B and R1 to R5 are defined as in claim 1, the tautomers, enantiomers, diastereomers, mixtures and salts thereof, especially the physiologically salts thereof with inorganic or organic acids or bases, which have valuable properties. The inventive compounds have an antithrombotic effect and are factor Xa inhibitors.

New carboxylic acid amides, the preparation thereof and their use as medicaments

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Page/Page column 34, (2010/02/13)

The present invention relates to new substituted carboxylic acid amides of general formula wherein A, B and R1 to R5 are defined as in claim 1, the tautomers, the enantiomers, the diastereomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable properties.

Pyrrolidin-2-one compounds and their use as neuraminidase inhibitors

-

, (2008/06/13)

A compound having the formula: wherein all variables are as defined in the specification, for use as a neuramninidase inhibitor.

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