Dimethyl 4,5-imidazoledicarboxylate

Name: Dimethyl 4,5-imidazoledicarboxylate
Brand: ChemScene
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CAS No. 3304-70-9
Cat. No. CS-W002240
Purity≥96%
MDL No.MFCD00051338

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Dimethyl 4,5-imidazoledicarboxylate|CS-W002240

Structure of 3304-70-9

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General Information

CAS No. 3304-70-9
Cat. No. CS-W002240
Purity ≥96%
MDL No. MFCD00051338
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₈N₂O₄
Molecular Weight 184.15
Synonym(s) Dimethyl-4,5-Imidazole Dicarboxylate
SMILES COC(=O)c1[nH]cnc1C(=O)OC

Description

Dimethyl 4,5-imidazoledicarboxylate features a rigid, electron-deficient imidazole core with two ester-functionalized positions, enabling direct incorporation into heterocyclic scaffolds. This bench-stable, moisture-tolerant reagent facilitates efficient access to bioactive imidazolyl frameworks in medicinal chemistry and materials synthesis.

Application

Dimethyl 4,5-imidazoledicarboxylate serves as a versatile building block for the synthesis of imidazole-based heterocycles, enabling efficient access to pharmacologically relevant scaffolds. Its dual ester functionality facilitates sequential functionalization and participates reliably in palladium-catalyzed couplings. The molecule exhibits good bench stability and simplifies purification, making it well-suited for iterative synthetic campaigns in medicinal chemistry and process development.

Synthesis

Route1
- 67-56-1
- In-stock
  
  570-22-9
- ~76%
- In-stock
  
  3304-70-9
References
- Myles, Lauren; Gore, Rohitkumar G.; Gathergood, Nicholas; Connon, Stephen J. Green Chemistry, 2013 , vol. 15, # 10 p. 2740 - 2746
Route2
- 67-56-1
- 59157-08-3
- ~90%
- In-stock
  
  3304-70-9
References
- Ivanov, E. I.; Bogatskii, A. V.; Abramovich, A. E. Doklady Chemistry, 1980 , vol. 255, p. 516 - 518 Dokl. Akad. Nauk SSSR Ser. Khim., 1980 , vol. 255, # 2 p. 359 - 361

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 81.28
LogP -0.0171
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Imidazole compounds

Key Words

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Dimethyl 4,5-imidazoledicarboxylate

CAS No. 3304-70-9

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