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Imidazolyl-4-ethanol

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Name

Imidazolyl-4-ethanol

EINECS N/A
CAS No. 872-82-2 Density 1.228 g/cm3
PSA 48.91000 LogP -0.05550
Solubility N/A Melting Point 82 °C
Formula C5H8 N2 O Boiling Point 359.8ºC at 760 mmHg
Molecular Weight 112.131 Flash Point 171.4ºC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 872-82-2 (Imidazolyl-4-ethanol) Hazard Symbols N/A
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;

Article Data 14

Imidazolyl-4-ethanol Synthetic route

50-00-0

formaldehyd

140-86-3

1,4-dihydroxy-2-butanone

872-82-2

2-(1H-imidazol-4-yl)ethanol

Conditions
ConditionsYield
With ammonium hydroxide; copper(II) sulfate
With ammonium hydroxide; copper(I) sulfate In water at 80℃; for 2h;31.6 g
90773-75-4

4-(2-hydroxy-ethyl)-1,3-dihydro-imidazole-2-thione

872-82-2

2-(1H-imidazol-4-yl)ethanol

Conditions
ConditionsYield
With nitric acid
55-36-7

histamine hydrochloride

872-82-2

2-(1H-imidazol-4-yl)ethanol

Conditions
ConditionsYield
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;
4-<β-amino-ethyl>-1(3)H-imidazole hydrochloride

4-<β-amino-ethyl>-1(3)H-imidazole hydrochloride

872-82-2

2-(1H-imidazol-4-yl)ethanol

Conditions
ConditionsYield
With barium nitrite; water
50-00-0

formaldehyd

140-86-3

1,4-dihydroxy-2-butanone

7664-41-7

ammonia

7758-99-8

copper(II) sulfate

872-82-2

2-(1H-imidazol-4-yl)ethanol

Conditions
ConditionsYield
at 70 - 80℃;
51718-80-0

methyl 2-(1H-imidazol-4-yl)acetate hydrochloride

872-82-2

2-(1H-imidazol-4-yl)ethanol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran for 3h; Heating / reflux;
30290-08-5

4-(2′-methoxyethyl)imidazole

872-82-2

2-(1H-imidazol-4-yl)ethanol

Conditions
ConditionsYield
With hydrogen bromide for 1.5h; Reflux;5.41 g
872-82-2

2-(1H-imidazol-4-yl)ethanol

tert-butyl 2-chloro-4-iodobenzoate

C11H10ClN3O3*(x)ClH

Conditions
ConditionsYield
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%

copper(II) nitrate trihydrate

872-82-2

2-(1H-imidazol-4-yl)ethanol

C10H16CuN6O8

Conditions
ConditionsYield
In methanol for 1h; Heating;58.8%
5305-59-9

4-amino-6-chloropyrimidine

872-82-2

2-(1H-imidazol-4-yl)ethanol

2-(1-(6-aminopyrimidin-4-yl)-1H-imidazole-4-yl)ethan-1-ol

Conditions
ConditionsYield
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%

Imidazolyl-4-ethanol Specification

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

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