2-Propyl-1H-imidazole-4,5-dicarboxylic acid dimethyl ester - ≥98% , CAS No.124750-59-0

CAS: 124750-59-0 Cat. No.: P586768 Molecular Weight: 226.232 PubChem CID: 15222105
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
E76022 | 4,5-DIMETHYL 2-PROPYL-1H-IMIDAZOLE-4,5-DICARBOXYLATE | 2-propyl-4,5-bis(methoxycarbonyl)-imidazole | 2-Propyl-1H-imidazole-4,5-dicarboxylicaciddimethylester | 2-Propyl-1H-imidazole-4,5-dicarboxylic acid dimethyl ester | 1H-imidazole-4,5-dicarboxy
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
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Size
Status
Price
Qty
5g
P586768-5g
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$9.90

$14.90
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25g
P586768-25g
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$20.90

$31.90
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100g
P586768-100g
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$70.90

$106.90
Save $36.00 (33.68%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
E76022 | 4, 5-DIMETHYL 2-PROPYL-1H-IMIDAZOLE-4, 5-DICARBOXYLATE | 2-propyl-4, 5-bis(methoxycarbonyl)-imidazole | 2-Propyl-1H-imidazole-4, 5-dicarboxylicaciddimethylester | 2-Propyl-1H-imidazole-4, 5-dicarboxylic acid dimethyl ester | 1H-imidazole-4, 5-dicarboxy
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesCCCC1=NC(=C(N1)C(=O)OC)C(=O)OC
IUPAC Namedimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate
InChIKeyFGBHVVBYDOTMMD-UHFFFAOYSA-N
INCHI1S/C10H14N2O4/c1-4-5-6-11-7(9(13)15-2)8(12-6)10(14)16-3/h4-5H2,1-3H3,(H,11,12)
Isomeric SMILES CCCC1=NC(=C(N1)C(=O)OC)C(=O)OC
PubChem CID 15222105
Molecular Weight 226.232

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles - Trisubstituted imidazoles
Direct Parent2,4,5-trisubstituted imidazoles
Alternative Parents Carbonylimidazoles  Vinylogous amides  Methyl esters  Heteroaromatic compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2,4,5-trisubstituted-imidazole - Imidazole-4-carbonyl group - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2,4,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 2, 4, and 5.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight226.230 g/mol
XLogP31.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass226.095 Da
Monoisotopic Mass226.095 Da
Topological Polar Surface Area81.300 Ų
Heavy Atom Count16
Formal Charge0
Complexity270.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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