Ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate
Ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate structure
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Common Name | Ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 52450-32-5 | Molecular Weight | 233.26300 | |
| Density | 1.168g/cm3 | Boiling Point | 418.3ºC at 760 mmHg | |
| Molecular Formula | C13H15NO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 206.8ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.168g/cm3 |
|---|---|
| Boiling Point | 418.3ºC at 760 mmHg |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.26300 |
| Flash Point | 206.8ºC |
| Exact Mass | 233.10500 |
| PSA | 55.40000 |
| LogP | 1.40810 |
| Index of Refraction | 1.533 |
| InChIKey | QVGUCCHRJMBKNX-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C1C(=O)NCC1c1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
Ethyl 2-oxo-4-p... CAS#:52450-32-5 |
| Literature: ACADIA PHARMACEUTICALS INC. Patent: WO2006/127396 A1, 2006 ; Location in patent: Page/Page column 33 ; WO 2006/127396 A1 |
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~80%
Ethyl 2-oxo-4-p... CAS#:52450-32-5 |
| Literature: Jayapradha; Muthusubramanian Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2007 , vol. 46, # 10 p. 1645 - 1647 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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
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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
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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
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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
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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
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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.
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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
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Oxo-4-phenyl-pyrrolidin-3-carbonsaeure-aethylester |
| 2-oxo-4-phenylpyrrolidine-3-carboxylic acid ethyl ester |
| 2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine |
| 4-phenyl-3-carbethoxy-2-pyrrolidone |
| Ethyl 2-oxo-4-phenyl-3-pyrrolidinecarboxylate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate? |
| A: InChIKey of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate is QVGUCCHRJMBKNX-UHFFFAOYSA-N. |
| Q: What is the molecular weight of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate? |
| A: Molecular weight of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate is 233.26300. |
| Q: What English synonyms does ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate have? |
| A: English synonyms of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate: 2-Oxo-4-phenyl-pyrrolidin-3-carbonsaeure-aethylester, 2-oxo-4-phenylpyrrolidine-3-carboxylic acid ethyl ester, 2-oxo-4-phenyl-3-ethoxycarbonylpyrrolidine, 4-phenyl-3-carbethoxy-2-pyrrolidone, Ethyl 2-oxo-4-phenyl-3-pyrrolidinecarboxylate. |
| Q: What is the SMILES notation of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate? |
| A: SMILES notation of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate is CCOC(=O)C1C(=O)NCC1c1ccccc1. |
| Q: What is the English name of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate? |
| A: The English name of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate is ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate. |
| Q: What is the LogP of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate? |
| A: LogP of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate is 1.40810. |
| Q: What is the molecular formula of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate? |
| A: Molecular formula of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate is C13H15NO3. |
| Q: What is the boiling point of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate? |
| A: Boiling point of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate is 418.3ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate? |
| A: Polar surface area (PSA) of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate is 55.40000. |
| Q: What is the CAS number of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate? |
| A: CAS number of ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate is 52450-32-5. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |