Products Categories
CAS No.: | 58954-23-7 |
---|---|
Name: | 2-Propyl-1H-imidazole-4,5-dicarboxy acid |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C8H10N2O4 |
Molecular Weight: | 198.178 |
Synonyms: | Imidazole-4,5-dicarboxylicacid, 2-propyl- (6CI);IEM 1795; |
EINECS: | 1312995-182-4 |
Density: | 1.464 g/cm3 |
Melting Point: | 262-264 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 552.885 °C at 760 mmHg |
Flash Point: | 288.174 °C |
PSA: | 103.28000 |
LogP: | 0.75860 |
2-propylimidazole-4,5-dicarbonitrile
2-propyl-1H-imidazole-4,5-dicarboxylic acid
Conditions | Yield |
---|---|
With hydrogenchloride In water at 100℃; for 0.0333333h; Temperature; | 96.5% |
With hydrogenchloride; water for 4h; Reflux; Large scale reaction; | 95% |
With hydrogenchloride for 8h; Heating; | 80% |
2-propyl-1H-benzimidazole
2-propyl-1H-imidazole-4,5-dicarboxylic acid
Conditions | Yield |
---|---|
With sodium tungstate; disodium hydrogenphosphate; potassium dihydrogenphosphate; dihydrogen peroxide In water at 100℃; for 1h; pH=4.9; Concentration; pH-value; Temperature; | 85.5% |
With sulfuric acid; dihydrogen peroxide In water at 100 - 120℃; for 0.5h; Concentration; | 72% |
With sulfuric acid; dihydrogen peroxide In water for 3h; Reflux; | 35% |
2-propyl-1H-imidazole-4, 5-diethyl azodicarboxylate
2-propyl-1H-imidazole-4,5-dicarboxylic acid
Conditions | Yield |
---|---|
With sodium hydroxide In tetrahydrofuran at 50℃; for 4h; | 85% |
Conditions | Yield |
---|---|
Stage #1: L-Tartaric acid With sulfuric acid; nitric acid at 43 - 46℃; for 1.61667h; Stage #2: butyraldehyde With ammonium hydroxide In 1-methyl-pyrrolidin-2-one at -10 - 4℃; Solvent; Temperature; | 46% |
2-propyl-1H-benzimidazole
A
4,5-imidazoledicarboxylic acid
B
2-propyl-1H-imidazole-4,5-dicarboxylic acid
Conditions | Yield |
---|---|
With sulfuric acid; dihydrogen peroxide In water at 100 - 130℃; | A 31% B 1% |
butyraldehyde
2-propyl-1H-imidazole-4,5-dicarboxylic acid
Conditions | Yield |
---|---|
With ammonia |
di-O-nitro-tartaric acid
butyraldehyde
2-propyl-1H-imidazole-4,5-dicarboxylic acid
Conditions | Yield |
---|---|
With ammonium hydroxide at 0℃; for 0.5h; | 97 g |
1,1,1-trimethoxybutane
diaminomaleonitrile
2-propyl-1H-imidazole-4,5-dicarboxylic acid
Conditions | Yield |
---|---|
In methanol Reflux; |
methanol
2-propyl-1H-imidazole-4,5-dicarboxylic acid
2-propyl-4,5-bis(methoxycarbonyl)-imidazole
Conditions | Yield |
---|---|
With thionyl chloride at 40 - 45℃; Large scale reaction; | 96% |
With thionyl chloride at 43℃; for 11h; | |
Stage #1: methanol; 2-propyl-1H-imidazole-4,5-dicarboxylic acid With thionyl chloride Reflux; Stage #2: With sodium hydroxide In water for 0.25h; |
2-propyl-1H-imidazole-4,5-dicarboxylic acid
ethanol
2-propyl-1H-imidazole-4, 5-diethyl azodicarboxylate
Conditions | Yield |
---|---|
Stage #1: 2-propyl-1H-imidazole-4,5-dicarboxylic acid; ethanol With hydrogenchloride; thionyl chloride at 5℃; for 0.166667h; Stage #2: for 1.5h; Heating; | 94% |
With hydrogenchloride Ambient temperature; | 86% |
With thionyl chloride In water at 8℃; for 6.6h; Temperature; Reflux; | 77% |
at 0℃; for 12h; Reflux; |
What can I do for you?
Get Best Price
The 1H-Imidazole-4,5-dicarboxylicacid, 2-propyl-, with the CAS registry number 58954-23-7, has the systematic name of 2-propyl-1H-imidazole-4,5-dicarboxylic acid. This chemical is usually applied as the intermediate of antar tablet Olmesartan, with the product categories including organic acids; API intermediates.
The characteristics of this chemical are as follows: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 103.28 ; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 46.82 cm3; (15)Molar Volume: 135.363 cm3; (16)Polarizability: 18.561 ×10-24 cm3; (17)Surface Tension: 77.525 dyne/cm; (18)Density: 1.464 g/cm3; (19)Flash Point: 288.174 °C; (20)Enthalpy of Vaporization: 87.714 kJ/mol; (21)Boiling Point: 552.885 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(O)c1nc(nc1C(=O)O)CCC
(2)InChI:InChI=1/C8H10N2O4/c1-2-3-4-9-5(7(11)12)6(10-4)8(13)14/h2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)
(3)InChIKey:BGPZYJSOTDBJMV-UHFFFAOYAI