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benzoic acid, 4-(2-oxo-1-pyrrolidinyl)-, methyl ester is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 221381-89-1 Structure
  • Basic information

    1. Product Name: benzoic acid, 4-(2-oxo-1-pyrrolidinyl)-, methyl ester
    2. Synonyms: benzoic acid, 4-(2-oxo-1-pyrrolidinyl)-, methyl ester;methyl 4-(2-oxopyrrolidin-1-yl)benzoate;4-(2-ketopyrrolidin-1-yl)benzoic acid methyl ester;4-(2-oxo-1-pyrrolidinyl)benzoic acid methyl ester;4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid methyl ester;BAS 00358368;CBDivE_015964;ST5449463
    3. CAS NO:221381-89-1
    4. Molecular Formula: C12H13NO3
    5. Molecular Weight: 219.23652
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 221381-89-1.mol
  • Chemical Properties

    1. Melting Point: 118-120 °C(Solv: chloroform (67-66-3); ethyl ether (60-29-7))
    2. Boiling Point: 447.6±28.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.229±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: -2.06±0.20(Predicted)
    10. CAS DataBase Reference: benzoic acid, 4-(2-oxo-1-pyrrolidinyl)-, methyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: benzoic acid, 4-(2-oxo-1-pyrrolidinyl)-, methyl ester(221381-89-1)
    12. EPA Substance Registry System: benzoic acid, 4-(2-oxo-1-pyrrolidinyl)-, methyl ester(221381-89-1)
  • 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: 221381-89-1(Hazardous Substances Data)

221381-89-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 221381-89-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,1,3,8 and 1 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 221381-89:
(8*2)+(7*2)+(6*1)+(5*3)+(4*8)+(3*1)+(2*8)+(1*9)=111
111 % 10 = 1
So 221381-89-1 is a valid CAS Registry Number.

221381-89-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 4-(2-oxopyrrolidin-1-yl)benzoate

1.2 Other means of identification

Product number -
Other names 4-(2-oxo-pyrrolidin-1-yl)-benzoic acid methyl ester

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:221381-89-1 SDS

221381-89-1Relevant articles and documents

Synthetic method of N - aryl substituted lactam compound

-

Paragraph 0038-0040, (2021/08/25)

The invention discloses a method. NSynthesis method of - aryl substituted lactam compound, and synthesis method thereof is promoted by tertiary butyl hydroperoxide and-tert-butyl hydroperoxideNMulti-step series reaction synthesis - aryl substituted saturated cyclic amine compoundN- Aryl substituted lactam compounds are simple and convenient to operate. The method has the advantages of no transition metal catalysis, wide substrate application range and the like, and is suitable for industrial production.

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.

THERAPEUTIC INHIBITORY COMPOUNDS

-

Page/Page column 191, (2015/07/16)

The invention provides compounds of Formula I and Formula II: A-B-C-D-E-F-G-J (I) C-D-E-F-G-J (II) wherein A, B, C, D, E, F, G, and J have any of the values defined in the specification, and salts thereof. The compounds are useful for inhibiting plasma kallikrein, and for treating a disease or condition in an animal where inhibition of plasma kallikrein is indicated.

Selective copper-catalyzed N-arylation of lactams with arylboronic acids under base- and ligand-free conditions

Bathini, Thulasiram,Rawat, Vikas Singh,Sreedhar, Bojja

supporting information, p. 1348 - 1351 (2015/06/16)

An oxidative copper-catalyzed cross-coupling of arylboronic acids with various ring-size lactams has been developed. The N-arylated lactams were obtained in moderate to excellent yields without any additional bases, ligands, or additives. This reaction shows complete selectivity for N-arylation of lactams in the presence of a hydroxyl group.

NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE

-

Page/Page column 33-34, (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.

Copper-catalyzed N-arylation of amides using (S)-N-methylpyrrolidine-2- carboxylate as the ligand

Wang, Chaoyu,Liu, Lijuan,Wang, Wei,Ma, Dong-Sheng,Zhang, Hua

experimental part, p. 1154 - 1160 (2010/06/13)

(S)-N-methylpyrrolidine-2-carboxylate, a derivative of natural L-proline, was found to be an efficient ligand for the copper-catalyzed Goldberg-type N-arylation of amides with aryl halides under mild conditions. A variety of N-arylamides were synthesized in good to high yields.

NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE

-

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

-

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.

Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds

-

, (2015/03/06)

The present invention relates to copper-catalyzed carbon-heteroatom and carbon-carbon bond-forming methods. In certain embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between the nitrogen atom of an amide or amine moiety and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In additional embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between a nitrogen atom of an acyl hydrazine and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In other embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between the nitrogen atom of a nitrogen-containing heteroaromatic, e.g., indole, pyrazole, and indazole, and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In certain embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-oxygen bond between the oxygen atom of an alcohol and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. The present invention also relates to copper-catalyzed methods of forming a carbon-carbon bond between a reactant comprising a nucleophilic carbon atom, e.g., an enolate or malonate anion, and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. Importantly, all the methods of the present invention are relatively inexpensive to practice due to the low cost of the copper comprised by the catalysts.

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