2,2-Pyrrolidinedicarboxylicacid, 3-ethyl-5-oxo-, 2,2-diethyl ester
2,2-Pyrrolidinedicarboxylicacid, 3-ethyl-5-oxo-, 2,2-diethyl ester structure
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Common Name | 2,2-Pyrrolidinedicarboxylicacid, 3-ethyl-5-oxo-, 2,2-diethyl ester | ||
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| CAS Number | 2446-13-1 | Molecular Weight | 257.28300 | |
| Density | 1.14g/cm3 | Boiling Point | 371.2ºC at 760mmHg | |
| Molecular Formula | C12H19NO5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate |
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| 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 | 1.14g/cm3 |
|---|---|
| Boiling Point | 371.2ºC at 760mmHg |
| Molecular Formula | C12H19NO5 |
| Molecular Weight | 257.28300 |
| Exact Mass | 257.12600 |
| PSA | 81.70000 |
| LogP | 0.72630 |
| Vapour Pressure | 1.05E-05mmHg at 25°C |
| Index of Refraction | 1.464 |
| InChIKey | RBLIOZQRPLHAGN-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C1(C(=O)OCC)NC(=O)CC1CC |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933790090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~82%
2,2-Pyrrolidine... CAS#:2446-13-1 |
| Literature: ArQule Patent: US2002/183361 A1, 2002 ; |
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~%
2,2-Pyrrolidine... CAS#:2446-13-1 |
| Literature: Japan Tobacco Inc.; Yoshotomi Pharmaceutical Industries, Ltd. Patent: US5151497 A1, 1992 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933790090 |
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| Summary | 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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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: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5,5-dicarboethoxy-4-ethyl-2-pyrrolidinone |
| Diethyl-3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate |
| 3-Ethyl-5-oxo-pyrrolidin-2,2-dicarbonsaeure-diethylester |
| 4-ethyl-5,5-dicarbethoxy-2-pyrrolidinone |
| 3-ethyl-5-oxo-pyrrolidine-2,2-dicarboxylic acid diethyl ester |
| Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate? |
| A: The English name of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate is diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate. |
| Q: What is the boiling point of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate? |
| A: Boiling point of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate is 371.2ºC at 760mmHg. |
| Q: What are the upstream materials of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate? |
| A: Related upstream materials(CAS) of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate: 24410-84-2;1068-90-2;2445-93-4. |
| Q: What is the InChIKey of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate? |
| A: InChIKey of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate is RBLIOZQRPLHAGN-UHFFFAOYSA-N. |
| Q: What English synonyms does diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate have? |
| A: English synonyms of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate: 5,5-dicarboethoxy-4-ethyl-2-pyrrolidinone, Diethyl-3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate, 3-Ethyl-5-oxo-pyrrolidin-2,2-dicarbonsaeure-diethylester, 4-ethyl-5,5-dicarbethoxy-2-pyrrolidinone, 3-ethyl-5-oxo-pyrrolidine-2,2-dicarboxylic acid diethyl ester, Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate. |
| Q: What is the CAS number of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate? |
| A: CAS number of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate is 2446-13-1. |
| Q: What is the molecular weight of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate? |
| A: Molecular weight of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate is 257.28300. |
| Q: What is the LogP of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate? |
| A: LogP of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate is 0.72630. |
| Q: What is the polar surface area (PSA) of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate? |
| A: Polar surface area (PSA) of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate is 81.70000. |
| Q: What is the SMILES notation of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate? |
| A: SMILES notation of diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate is CCOC(=O)C1(C(=O)OCC)NC(=O)CC1CC. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |