1H-Pyrrole-2-carboxylicacid, 3,4,5-trimethyl-, ethyl ester

Modify Date: 2025-08-21 07:27:19

1H-Pyrrole-2-carboxylicacid, 3,4,5-trimethyl-, ethyl ester Structure
1H-Pyrrole-2-carboxylicacid, 3,4,5-trimethyl-, ethyl ester structure
Common Name 1H-Pyrrole-2-carboxylicacid, 3,4,5-trimethyl-, ethyl ester
CAS Number 2199-46-4 Molecular Weight 181.23200
Density 1.059g/cm3 Boiling Point 298.1ºC at 760mmHg
Molecular Formula C10H15NO2 Melting Point 125-126ºC
MSDS N/A Flash Point 134.1ºC

 Names

Name ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.059g/cm3
Boiling Point 298.1ºC at 760mmHg
Melting Point 125-126ºC
Molecular Formula C10H15NO2
Molecular Weight 181.23200
Flash Point 134.1ºC
Exact Mass 181.11000
PSA 42.09000
LogP 2.11660
Vapour Pressure 0.00129mmHg at 25°C
Index of Refraction 1.515
InChIKey WBOGFZDTCIQHSX-UHFFFAOYSA-N
SMILES CCOC(=O)c1[nH]c(C)c(C)c1C

 Safety Information

Safety Phrases S22-S24/25
HS Code 2933990090

 Synthetic Route

 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: 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
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: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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 Synonyms

2,3,4-trimethyl-5-ethoxycarbonylpyrrole
ETHYL 3,4,5-TRIMETHYLPYRROLE-2-CARBOXYLATE
3,4,5-Trimethyl-pyrrol-2-carbonsaeure-aethylester
3,4,5-Trimethylpyrrole-2-carboxylic acid ethyl ester
2-ethoxycarbonyl-3,4,5-trimethylpyrrole
ETHYL 3,4,5-TRIMETHYL-2-PYRROLECARBOXYLATE
ethyl 3,4,5-trimethylpyrrole-2-carboxylate
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