1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester

Modify Date: 2025-08-25 17:04:37

1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester Structure
1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester structure
Common Name 1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester
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

 Names

Name diethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
Synonym More Synonyms

 Chemical & Physical Properties

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

 Safety Information

HS Code 2933990090

 Synthetic Route

~84%

1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester Structure

1H-Pyrrole-2,4-...

CAS#:2199-60-2

Literature: Thyrann, Thomas; Lightner, David A. Tetrahedron Letters, 1995 , vol. 36, # 25 p. 4345 - 4348

~90%

1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester Structure

1H-Pyrrole-2,4-...

CAS#:2199-60-2

Literature: Brittain, Judith M.; Jones, R. Alan; Jones, Richard O.; King, Trevor J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 2656 - 2661

~96%

1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester Structure

1H-Pyrrole-2,4-...

CAS#:2199-60-2

Literature: Brittain, Judith M.; Jones, R. Alan; Jones, Richard O.; King, Trevor J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 2656 - 2661

~%

1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester Structure

1H-Pyrrole-2,4-...

CAS#:2199-60-2

Literature: Fischer; Halbig Justus Liebigs Annalen der Chemie, 1926 , vol. 447, p. 126,137 Justus Liebigs Annalen der Chemie, 1926 , vol. 448, p. 199

~%

1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester Structure

1H-Pyrrole-2,4-...

CAS#:2199-60-2

Literature: Fischer; Halbig Justus Liebigs Annalen der Chemie, 1926 , vol. 447, p. 126,137 Justus Liebigs Annalen der Chemie, 1926 , vol. 448, p. 199

~%

1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester Structure

1H-Pyrrole-2,4-...

CAS#:2199-60-2

Literature: Fischer; Ernst Justus Liebigs Annalen der Chemie, 1926 , vol. 447, p. 158

~%

1H-Pyrrole-2,4-dicarboxylicacid, 5-formyl-3-methyl-, 2,4-diethyl ester Structure

1H-Pyrrole-2,4-...

CAS#:2199-60-2

Literature: Nikitin, Edward B.; Dey, Sanjeev K.; Lightner, David A. Monatshefte fur Chemie, 2009 , vol. 140, # 1 p. 97 - 110

 Customs

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%

 Bioassay

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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
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: 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: 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
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
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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 Synonyms

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
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