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

Modify Date: 2025-08-28 06:57:18

4-(2-oxopyrrolidin-1-yl)benzoic acid Structure
4-(2-oxopyrrolidin-1-yl)benzoic acid structure
Common Name 4-(2-oxopyrrolidin-1-yl)benzoic acid
CAS Number 36151-44-7 Molecular Weight 205.21000
Density 1.341g/cm3 Boiling Point 507.1ºC at 760mmHg
Molecular Formula C11H11NO3 Melting Point N/A
MSDS N/A Flash Point 260.5ºC

 Names

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

 Chemical & Physical Properties

Density 1.341g/cm3
Boiling Point 507.1ºC at 760mmHg
Molecular Formula C11H11NO3
Molecular Weight 205.21000
Flash Point 260.5ºC
Exact Mass 205.07400
PSA 57.61000
LogP 1.57660
Index of Refraction 1.616
InChIKey YDKWTEYRNMUJKC-UHFFFAOYSA-N
SMILES O=C(O)c1ccc(N2CCCC2=O)cc1

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid
CAS number:36151-44-7

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C11H11NO3
Molecular weight:205.2

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

HS Code 2933790090

 Synthetic Route

~97%

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

4-(2-oxopyrroli...

CAS#:36151-44-7

Literature: TANABE SEIYAKU CO., LTD. Patent: EP1640373 A1, 2006 ; Location in patent: Page/Page column 18 ;

~65%

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

4-(2-oxopyrroli...

CAS#:36151-44-7

Literature: Bischoff, Alexander; Subramanya, Hosahalli; Sundaresan, Kumar; Sammeta, Srinivasa Raju; Vaka, Anil Kumar Patent: US2010/160323 A1, 2010 ; Location in patent: Page/Page column 34 ; US 20100160323 A1

~78%

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

4-(2-oxopyrroli...

CAS#:36151-44-7

Literature: DeVries, Vern G.; Largis, Elwood E.; Miner, Thomas G.; Shepherd, Robert G.; Upeslacis, Janis Journal of Medicinal Chemistry, 1983 , vol. 26, # 10 p. 1411 - 1421

~%

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

4-(2-oxopyrroli...

CAS#:36151-44-7

Literature: Journal of Medicinal Chemistry, , vol. 26, # 10 p. 1411 - 1421

~%

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

4-(2-oxopyrroli...

CAS#:36151-44-7

Literature: DE850007 , ; DRP/DRBP Org.Chem.

~66%

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

4-(2-oxopyrroli...

CAS#:36151-44-7

Literature: Atigadda, Venkatram R.; Brouillette, Wayne J.; Duarte, Franco; Ali, Shoukath M.; Babu, Yarlagadda S.; Bantia, Shanta; Chand, Pooran; Chu, Naiming; Montgomery, John A.; Walsh, David A.; Sudbeck, Elise A.; Finley, James; Luo, Ming; Air, Gillian M.; Laver, Graeme W. Journal of Medicinal Chemistry, 1999 , vol. 42, # 13 p. 2332 - 2343

~%

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

4-(2-oxopyrroli...

CAS#:36151-44-7

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 16 p. 4419 - 4427

 Customs

HS Code 2933790090
Summary 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

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

View more

Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase
Source: ChEMBL
Target: Sterol O-acyltransferase 1
External Id: CHEMBL644794
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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