1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester
1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester structure
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Common Name | 1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester | ||
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| CAS Number | 2199-60-2 | Molecular Weight | 253.25100 | |
| Density | 1.238g/cm3 | Boiling Point | 439.7ºC at 760mmHg | |
| Molecular Formula | C12H15NO5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 219.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-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 | 1.238g/cm3 |
|---|---|
| Boiling Point | 439.7ºC at 760mmHg |
| Molecular Formula | C12H15NO5 |
| Molecular Weight | 253.25100 |
| Flash Point | 219.7ºC |
| Exact Mass | 253.09500 |
| PSA | 85.46000 |
| LogP | 1.48900 |
| Vapour Pressure | 6.23E-08mmHg at 25°C |
| Index of Refraction | 1.549 |
| InChIKey | WPKKEQCPXUTCDZ-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
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| DownStream 10 | |
CAS#:5448-16-8
CAS#:625-82-1
CAS#:100129-92-8
CAS#:616-43-3
CAS#:79754-38-4
CAS#:79754-46-4
CAS#:4458-69-9
CAS#:5448-14-6This 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: 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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Name: Confirmed inhibitors of the Choline Transporter (CHT)
Source: 1043
Target: high affinity choline transporter 1 [Homo sapiens]
External Id: SAID_488997
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-formyl-3-methyl-pyrrole-2,4-dicarboxylic acid diethyl ester |
| Pyrrole Analogue 1 |
| 5-Formyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester |
| 3,5-bisethoxycarbonyl-2-formyl-4-methylpyrrole |
| 1H-Pyrrole-2,4-dicarboxylic acid,5-formyl-3-methyl-,diethyl ester |
| 4-Methyl-3,5-dicarbethoxypyrrol-2-aldehyd |
| diethyl 5-formyl-3-methylpyrrole-2,4-dicarboxylate |
| 2-formyl-3,5-bis(ethoxycarbonyl)-4-methylpyrrole |
| diethyl 2-formyl-4-methylpyrrole-3,5-dicarboxylate |
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 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate? |
| A: The English name of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate is diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate. |
| Q: What are the upstream materials of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate? |
| A: Related upstream materials(CAS) of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate: 2436-79-5;52649-30-6;57745-26-3;1066-30-4;5422-89-9;64-19-7. |
| Q: What is the InChIKey of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate? |
| A: InChIKey of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate is WPKKEQCPXUTCDZ-UHFFFAOYSA-N. |
| Q: What is the LogP of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate? |
| A: LogP of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate is 1.48900. |
| Q: What is the molecular formula of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate? |
| A: Molecular formula of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate is C12H15NO5. |
| Q: What is the molecular weight of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate? |
| A: Molecular weight of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate is 253.25100. |
| Q: What is the SMILES notation of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate? |
| A: SMILES notation of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate is CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1C. |
| Q: What is the Chinese name of 2199-60-2? |
| A: Chinese name of 2199-60-2 is 2199-60-2. |
| Q: What are the downstream products of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate? |
| A: Related downstream products(CAS) of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate: 5448-16-8;625-82-1;100129-92-8;616-43-3;79754-38-4;79754-46-4;4458-69-9;37789-75-6;5448-14-6;5422-89-9. |
| Q: What is the CAS number of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate? |
| A: CAS number of diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate is 2199-60-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |