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Name |
Diethyl 2-propylImidazoledicarbonate |
EINECS | 604-435-2 |
CAS No. | 144689-94-1 | Density | 1.16 g/cm3 |
PSA | 81.28000 | LogP | 1.71560 |
Solubility | N/A | Melting Point |
86 °C |
Formula | C12H18N2O4 | Boiling Point | 400.9 °C at 760 mmHg |
Molecular Weight | 254.286 | Flash Point | 196.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Imidazole-4,5-dicarboxylicacid, 2-propyl-, diethyl ester (9CI);Diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;Diethyl 2-propylimidazole-4,5-dicarboxylate; |
Article Data | 8 |
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; |
diethyl 2,3-dioxosuccinate
butyraldehyde
2-propyl-1H-imidazole-4, 5-diethyl azodicarboxylate
Conditions | Yield |
---|---|
With ammonia In tetrahydrofuran at 30 - 70℃; for 6h; | 85.5% |
With ammonium acetate In tetrahydrofuran; acetic acid at 60℃; for 3h; Product distribution / selectivity; light-shielding conditions; |
butylamidine hydrochloride
diethyl 3-chloro-2-oxosuccinate
2-propyl-1H-imidazole-4, 5-diethyl azodicarboxylate
Conditions | Yield |
---|---|
With pyridine In propan-1-ol for 6h; Reagent/catalyst; Solvent; Reflux; | 80% |
2-propylimidazole-4,5-dicarbonitrile
2-propyl-1H-imidazole-4, 5-diethyl azodicarboxylate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 80 percent / 6N aq. HCl / 8 h / Heating 2: 86 percent / HCl / Ambient temperature View Scheme |
2-propyl-1H-imidazole-4, 5-diethyl azodicarboxylate
Conditions | Yield |
---|---|
With sodium chloride; sodium hydroxide In water for 1h; Cooling with ice; |
methyl bromide
2-propyl-1H-imidazole-4, 5-diethyl azodicarboxylate
ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate
Conditions | Yield |
---|---|
With iodine; magnesium In dichloromethane at 15 - 25℃; for 2h; | 97.5% |
methylmagnesium bromide
2-propyl-1H-imidazole-4, 5-diethyl azodicarboxylate
ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate
Conditions | Yield |
---|---|
In diethyl ether; dichloromethane at 10 - 15℃; for 1h; | 95% |
methylmagnesium chloride
2-propyl-1H-imidazole-4, 5-diethyl azodicarboxylate
ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate
Conditions | Yield |
---|---|
Stage #1: methylmagnesium chloride; diethyl 2-(n-propyl)-1H-imidazole-4,5-dicarboxylate In tetrahydrofuran at -10 - 0℃; for 0.166667h; Stage #2: With water; ammonium chloride In tetrahydrofuran; dichloromethane | 85% |
Stage #1: methylmagnesium chloride; diethyl 2-(n-propyl)-1H-imidazole-4,5-dicarboxylate In tetrahydrofuran; toluene for 6.5h; Inert atmosphere; Cooling with ice; Stage #2: With hydrogenchloride In tetrahydrofuran; water; toluene pH=7; | |
In tetrahydrofuran at 60℃; for 2h; | 4.81 g |
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% |
ethylmagnesium bromide
2-propyl-1H-imidazole-4, 5-diethyl azodicarboxylate
5-(1-Ethyl-1-hydroxy-propyl)-2-propyl-3H-imidazole-4-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
In diethyl ether; dichloromethane at 10 - 15℃; for 1h; | 83% |
The Diethyl 2-propylImidazoledicarbonate, with the CAS registry number 144689-94-1, has the systematic name of diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate. Besides, its product categories are including Pharmaceutical material and intermeidates; Organic acids. As to its usage, it is usually applied as the intermediate of antihypertensive (agent) Olmesartan.
The physical properties of this chemical are as follows: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 104 ; (8)ACD/KOC (pH 7.4): 99; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 81.28; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 65.772 cm3; (15)Molar Volume: 219.103 cm3; (16)Polarizability: 26.074 ×10-24 cm3; (17)Surface Tension: 44.745 dyne/cm; (18)Density: 1.161 g/cm3; (19)Flash Point: 196.248 °C; (20)Enthalpy of Vaporization: 65.181 kJ/mol; (21)Boiling Point: 400.884 °C at 760 mmHg.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(OCC)c1nc(nc1C(=O)OCC)CCC
(2)InChI:InChI=1/C12H18N2O4/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3/h4-7H2,1-3H3,(H,13,14)
(3)InChIKey:ZQPMIDPIXSMOAD-UHFFFAOYAF