1H-Imidazole-4,5-dicarboxylic acid dimethyl ester

• CAS: 3304-70-9
• Catalog Number: ACM3304709
• Category: Other Products
• Molecular Weight: 184.15
• Molecular Formula: C₇H₈N₂O₄
• Synonyms: TimTec1_005020, Dimethyl imidazole-4,5-dicarboxylate, MLS000767417, ZERO/008399, Dimethyl 4,5-imidazole-dicarboxylate, AIDS020248, AIDS-020248, NSC44628, NSC44693, NSC 44628, NSC 44693, ZINC00039577, SMR000429771, Imidazole-4,5-dicarboxylic acid, dimethyl ester, 1H-Imidazole-4,5-dicarboxylic acid, dimethyl ester, 4,5-Imidazoledicarboxylic acid, dimethyl ester, 1H-Imidazole-4,5-dicarboxylic acid dimethyl ester, 3304-70-9
• IUPAC Name: dimethyl 1H-imidazole-4,5-dicarboxylate
• Canonical SMILES: COC(=O)C1=C(N=CN1)C(=O)OC
• InChI Key: CUIWFAXEALIQJS-UHFFFAOYSA-N
• Boiling Point: 338.2ºC at 760mmHg
• Melting Point: 197-201ºC
• Flash Point: 158.3ºC
• Density: 1.346g/cm³
• Appearance: Solid.
• Exact Mass: 184.04800
• H-Bond Acceptor: 6
• H-Bond Donor: 1
• Safety Description: S24/25
• Stability: Stable under normal temperatures and pressures.

Synthetic Use

Upstream Synthesis Route 1

• 67-56-1
• 570-22-9

• 3304-70-9

Reference: [1] Green Chemistry, 2013, vol. 15, # 10, p. 2740 - 2746

Upstream Synthesis Route 2

• 67-56-1
• 59157-08-3

• 3304-70-9

Reference: [1] Doklady Chemistry, 1980, vol. 255, p. 516 - 518[2] Dokl. Akad. Nauk SSSR Ser. Khim., 1980, vol. 255, # 2, p. 359 - 361

Upstream Synthesis Route 3

• 67-56-1
• 570-22-9

• 3304-70-9

Reference: [1]Green Chemistry,2013,vol. 15,p. 2740 - 2746

Downstream Synthesis Route 1

• 3304-70-9
• 75-03-6

• 61523-49-7

Reference: [1]Patent: US2872371,1957,

Downstream Synthesis Route 2

• 3304-70-9
• 100-63-0

• 7104-79-2

Reference: [1]Journal of Organic Chemistry,1958,vol. 23,p. 1534,1536

* For details of the synthesis route, please refer to the original source to ensure accuracy.