Dimethyl 1H-imidazole-4,5-dicarboxylate

Base Information

• Chemical Name: Dimethyl 1H-imidazole-4,5-dicarboxylate
• CAS No.: 3304-70-9
• Molecular Formula: C7H8N2O4
• Molecular Weight: 184.152
• Hs Code.: 29332900
• European Community (EC) Number: 692-746-4
• NSC Number: 44693,44628
• DSSTox Substance ID: DTXSID1062966
• Nikkaji Number: J421.670I
• Wikidata: Q72470641
• ChEMBL ID: CHEMBL2134742
• Mol file: 3304-70-9.mol

Synonyms:3304-70-9;Dimethyl 1H-imidazole-4,5-dicarboxylate;DIMETHYL 4,5-IMIDAZOLEDICARBOXYLATE;1H-Imidazole-4,5-dicarboxylic acid dimethyl ester;Dimethyl imidazole-4,5-dicarboxylate;1H-Imidazole-4,5-dicarboxylic acid, dimethyl ester;4,5-dimethyl 1H-imidazole-4,5-dicarboxylate;MFCD00051338;Imidazole-4,5-dicarboxylic acid, dimethyl ester;Dimethyl 4,5-imidazole-dicarboxylate;NSC 44628;NSC 44693;Imidazole-4, dimethyl ester;1H-Imidazole-4,5-dicarboxylic acid, 4,5-dimethyl ester;1H-Imidazole-4, dimethyl ester;4,5-Imidazoledicarboxylic acid, dimethyl ester;TimTec1_005020;MLS000767417;SCHEMBL1081091;4,5-dimethoxycarbonyl-imidazole;CHEMBL2134742;DTXSID1062966;HMS1548E04;HMS2779F19;NSC44628;NSC44693;BBL010648;dimethyl 4,5 imidazole dicarboxylate;dimethyl 4,5-imidazole dicarboxylate;NSC-44628;NSC-44693;STK723348;AKOS004117730;CS-W002240;PB42558;NCGC00246369-01;AS-11909;BP-21477;SMR000429771;SY021992;Dimethyl 4,5-imidazoledicarboxylate, 97%;Dimethyl 1H-imidazole-4,5-dicarboxylate #;A5904;AM20090499;FT-0625064;I0456;EN300-222041;SR-01000388931;J-520362;SR-01000388931-1;1H-Imidazole-4,5-dicarboxylic acid dimethyl ester, 98%;F0391-0004;dimethyl1H-imidazole-4,5-dicarboxylate;Dimethyl 4,5-imidazoledicarboxylate

Chemical Property of Dimethyl 1H-imidazole-4,5-dicarboxylate

Chemical Property:

• Appearance/Colour: white to light brown fine crystalline powder
• Vapor Pressure: 9.97E-05mmHg at 25°C
• Melting Point: 197-201 °C
• Refractive Index: 1.531
• Boiling Point: 338.2 °C at 760 mmHg
• PKA: 8.41±0.10(Predicted)
• Flash Point: 158.3 °C
• PSA: 81.28000
• Density: 1.346 g/cm³
• LogP: -0.01710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 184.04840674
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dimethyl 1H-Imidazole-4,5-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 24/25-39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(N=CN1)C(=O)OC
• Uses: Dimethyl 1H-Imidazole-4,5-dicarboxylate is an intermediate used to prepare hedgehog signaling pathway inhibitors as antitumor agents. It is also used to synthesize imidazo[4,5-e][1,3]diazepine-4,8-diones with anti-hepatitis B and C virus activities in vitro.