2-propyl-1H-imidazole-4,5-dicarboxylic Acid

Base Information

• Chemical Name: 2-propyl-1H-imidazole-4,5-dicarboxylic Acid
• CAS No.: 58954-23-7
• Molecular Formula: C8H10N2O4
• Molecular Weight: 198.178
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID20437036
• Nikkaji Number: J1.621.291A
• Wikidata: Q72502864
• Mol file: 58954-23-7.mol

Synonyms:2-propyl-1H-imidazole-4,5-dicarboxylic Acid;58954-23-7;2-Propyl-1H-imidazole-4,5-dicarboxy acid;1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-;SCHEMBL651;Oprea1_081265;DTXSID20437036;2-Propyl Imidazole Dicarboxylic Acid;2-Propyl-4,5-imidazoledicarboxylate;MFCD02069629;AKOS006346540;AC-4275;2-propyl-4,5-imidazoledicarboxylic acid;TS-00322;CS-0453919;EU-0041506;FT-0657372;C16037;A832087;SR-01000461877;SR-01000461877-1

Chemical Property of 2-propyl-1H-imidazole-4,5-dicarboxylic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 262-264 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.608
• Boiling Point: 552.885 °C at 760 mmHg
• PKA: 0.65±0.10(Predicted)
• Flash Point: 288.174 °C
• PSA: 103.28000
• Density: 1.464 g/cm³
• LogP: 0.75860
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 198.06405680
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

98% ^*data from raw suppliers

2-Propyl-1H-imidazole-4,5-dicarboxylic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC(=C(N1)C(=O)O)C(=O)O
• Uses: 2-Propylimidazole-4,5-dicarboxylic acid is a useful research chemical compound.

Technology Process of 2-propyl-1H-imidazole-4,5-dicarboxylic Acid

There total 10 articles about 2-propyl-1H-imidazole-4,5-dicarboxylic Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.5%

2-propylimidazole-4,5-dicarbonitrile (51802-42-7) → 2-propyl-1H-imidazole-4,5-dicarboxylic acid (58954-23-7)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 0.0333333h; Temperature;

Reference yield: 85.5%

2-propyl-1H-benzimidazole (5465-29-2) → 2-propyl-1H-imidazole-4,5-dicarboxylic acid (58954-23-7)

Guidance literature:

With sodium tungstate; disodium hydrogenphosphate; potassium dihydrogenphosphate; dihydrogen peroxide; In water; at 100 ℃; for 1h; pH=4.9; Concentration; pH-value; Temperature;

Reference yield: 85.0%

diethyl 2-(n-propyl)-1H-imidazole-4,5-dicarboxylate (144689-94-1) → 2-propyl-1H-imidazole-4,5-dicarboxylic acid (58954-23-7)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 50 ℃; for 4h;

upstream raw materials:

2-propylimidazole-4,5-dicarbonitrile

butyraldehyde

di-O-nitro-tartaric acid

1,1,1-trimethoxybutane

Downstream raw materials:

2-propyl-4,5-bis(methoxycarbonyl)-imidazole

olmesartan

1-((2'-(2-triphenylmethyl-tetrazol-5-yl)biphenyl-4-yl)methyl)-4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid

(5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl4-(1-hydroxy-1-methylethyl)-2-propyl-1-[2′-(2-triphenylmethyl-2H-tetrazol-5-yl)biphenyl-4-yl]methyl-1H-imidazole-5-carboxylate

Refernces

• 1、 -. "Method for synthesizing 2 -propyl imidazole -4 and 5 - dicarboxylic acid (by machine translation)". Paragraph 0020; 0033-0063. . Retrieved 2020/08/09.
• 2、 -. "A class of 4, 5 - disubstituted imidazole derivatives and its preparation and use (by machine translation)". Paragraph 0187-0189. . Retrieved 2017/07/22.