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CAS No.: | 872-82-2 |
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Name: | Imidazolyl-4-ethanol |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C5H8 N2 O |
Molecular Weight: | 112.131 |
Synonyms: | 1H-Imidazole-4-ethanol(9CI);Imidazole-4(or 5)-ethanol (6CI,7CI);Imidazole-4-ethanol (8CI);2-(1H-Imidazol-4-yl)ethanol;4-(2-Hydroxyethyl)imidazole;4-(b-Hydroxyethyl)imidazole;Histaminol; |
Density: | 1.228 g/cm3 |
Melting Point: | 82 °C |
Boiling Point: | 359.8ºC at 760 mmHg |
Flash Point: | 171.4ºC |
PSA: | 48.91000 |
LogP: | -0.05550 |
Conditions | Yield |
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With ammonium hydroxide; copper(II) sulfate | |
With ammonium hydroxide; copper(I) sulfate In water at 80℃; for 2h; | 31.6 g |
4-(2-hydroxy-ethyl)-1,3-dihydro-imidazole-2-thione
2-(1H-imidazol-4-yl)ethanol
Conditions | Yield |
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With nitric acid |
Conditions | Yield |
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With ethanol; diamine oxidase from pea seedling; liver alcohol dehydrogenase; NAD; catalase at 37℃; for 48h; phosphate buffer (pH 7); | 34 mg |
With hydrogenchloride; sodium nitrite In water at 40℃; for 2h; Reagent/catalyst; Temperature; |
2-(1H-imidazol-4-yl)ethanol
Conditions | Yield |
---|---|
With barium nitrite; water |
formaldehyd
1,4-dihydroxy-2-butanone
ammonia
water
copper(II) sulfate
2-(1H-imidazol-4-yl)ethanol
Conditions | Yield |
---|---|
at 70 - 80℃; |
methyl 2-(1H-imidazol-4-yl)acetate hydrochloride
2-(1H-imidazol-4-yl)ethanol
Conditions | Yield |
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With lithium aluminium tetrahydride In tetrahydrofuran for 3h; Heating / reflux; |
4-(2′-methoxyethyl)imidazole
2-(1H-imidazol-4-yl)ethanol
Conditions | Yield |
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With hydrogen bromide for 1.5h; Reflux; | 5.41 g |
Conditions | Yield |
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Stage #1: 2-(1H-imidazol-4-yl)ethanol; tert-butyl 2-chloro-4-iodobenzoate With potassium phosphate; copper(l) iodide; (R,R)-N,N'-dimethyl-1,2-diaminocyclohexane In dimethyl sulfoxide at 50℃; for 2h; Stage #2: With hydrogenchloride In 1,4-dioxane at 70℃; for 15h; | 96% |
Conditions | Yield |
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In methanol for 1h; Heating; | 58.8% |
Conditions | Yield |
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With caesium carbonate In N,N-dimethyl-formamide at 140℃; for 12h; | 58% |
With caesium carbonate In N,N-dimethyl-formamide at 140℃; for 12h; | 58% |
The 1H-Imidazole-5-ethanol, with its cas register number 872-82-2, has its IUPAC name of 2-(1H-imidazol-5-yl)ethanol. This chemical is a kind of white or alomost white solid, and this chemical belongs to the product category which is pharmacetical.
The physical properties of this chemical could be summarized as: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 5.696; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 48.91; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 29.861 cm3; (11)Molar Volume: 91.303 cm3; (12)Polarizability: 11.838 ×10-24 cm3; (13)Surface Tension: 60.23 dyne/cm; (14)Density: 1.228 g/cm3; (15)Flash Point: 171.38 °C; (16)Enthalpy of Vaporization: 63.879 kJ/mol; (17)Boiling Point: 359.766 °C at 760 mmHg.
Use of 1H-Imidazole-5-ethanol: 1H-Imidazole-5-ethanol could react with 1H-pyridine-2-thione to produce 2-[2-(1H-imidazol-4-yl)-ethylsulfanyl]-pyridine; dihydrobromide.
This reation could occur in the following condition: reagent: 47percent aq. HBr; reaction time: 24 hours; other condition: heating; field: 48%.
Additionally, you could convert the following datas information into the molecular structure:
(1)Canonical SMILES: C1=C(NC=N1)CCO
(2)InChI: InChI=1S/C5H8N2O/c8-2-1-5-3-6-4-7-5/h3-4,8H,1-2H2,(H,6,7)
(3)InChIKey: HEEACTTWORLLPM-UHFFFAOYSA-N