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Cas Database

Name	2-Isopropylimidazole	EINECS	253-286-6
CAS No.	36947-68-9	Density	0.991 g/cm³
PSA	28.68000	LogP	1.53310
Solubility				Melting Point	129 - 131 C
Formula	C6H10 N2	Boiling Point	256 - 260 C
Molecular Weight	110.159	Flash Point	114.5 °C
Transport Information	25kgs	Appearance	white to yellowish crystals
Safety	S26;S37/39	Risk Codes	R36/37/38
Molecular Structure		Hazard Symbols
Synonyms	2-(1-Methylethyl)-1H-imidazole;2-Isopropyl-1H-imidazole; 2-Isopropylimidazole	Article Data	11

2-Isopropylimidazole Synthetic route

: 131543-46-9
Glyoxal

: 78-84-2
isobutyraldehyde

A: 288-32-4
1H-imidazole

B: 36947-68-9
2-isopropylimidazole

Conditions

Conditions	Yield
Stage #1: isobutyraldehyde With ammonia In methanol; water at 25℃; for 1h; Stage #2: Glyoxal With ammonia In methanol; water at 25℃; for 2h; Product distribution / selectivity;	A 2 %Chromat. B 95%
With ammonia In water at 25℃; for 1h; Product distribution / selectivity;	A 23 %Chromat. B 56%

: 40029-86-5
2-(1-Methylethyl)-4,5-dihydro-1H-imidazol

: 36947-68-9
2-isopropylimidazole

Conditions

Conditions	Yield
nickel In ethanol for 48h; Heating / reflux;	41%

: 51294-23-6
2-isopropyl-1H-imidazole-4,5-dicarboxylic acid

A: 36947-68-9
2-isopropylimidazole

B: 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate

: 131543-46-9
Glyoxal

: 78-84-2
isobutyraldehyde

: 36947-68-9
2-isopropylimidazole

Conditions

Conditions	Yield
With ethanol; ammonia
With ammonium hydroxide In ethanol; water at 0 - 20℃; for 96h;
at 0 - 25℃; for 24h;

2-isopropyl-imidazole-dicarboxylic acid-(4.5): 2-isopropyl-imidazole-dicarboxylic acid-(4.5)

: 36947-68-9
2-isopropylimidazole

: 148748-05-4
N-(2,2-Dimethoxy-ethyl)-isobutyramidine

: 36947-68-9
2-isopropylimidazole

Conditions

Conditions	Yield
Stage #1: N-(2,2-Dimethoxy-ethyl)-isobutyramidine With thioacetamide In methanol at 0 - 45℃; Stage #2: With hydrogenchloride In methanol at 0 - 80℃;

: 36947-68-9
2-isopropylimidazole

: α-isocyanatomethylmethyldimethoxysilane

: 2-isopropyl-1-{[dimethoxy(methyl)silyl]methylcarbamoyl}imidazole

Conditions

Conditions	Yield
at 50℃; for 1h;	100%

: 36947-68-9
2-isopropylimidazole

: 29892-37-3
chloro(dimethylsulfide) gold(I)

A: 75-18-3
dimethylsulfide

B: 81196-82-9
(2-isopropylimidazole)2AuCl

Conditions

Conditions	Yield
In dichloromethane refluxed for 2 h; evapd. to dryness, stirred under Et2O for 24 h, filtered, washed with Et2O; elem. anal.;	A n/a B 100%

: 36947-68-9
2-isopropylimidazole

: 109-65-9
1-bromo-butane

: 46029-32-7
1-butyl-2-isopropylimidazole

Conditions

Conditions	Yield
With sodium hydroxide; tetra-(n-butyl)ammonium iodide In toluene for 20h; Heating;	98%

: 36947-68-9
2-isopropylimidazole

: 1036396-81-2
4,5-diiodo-2-isopropylimidazole

Conditions

Conditions	Yield
With iodine; sodium carbonate In 1,4-dioxane; water at 20℃; for 24h;	97%
With iodine; potassium iodide; sodium hydroxide In water at 20℃; Inert atmosphere;	44%
With iodine; sodium carbonate In 1,4-dioxane; water at 20℃;

2-Isopropylimidazole Chemical Properties

IUPAC Name: 2-Propan-2-yl-1H-imidazole
Following is the structure of 1H-Imidazole,2-(1-methylethyl)- (CAS NO.36947-68-9):

Empirical Formula: C₆H₁₀N₂
Molecular Weight: 110.157 g/mol
EINECS: 253-286-6
Index of Refraction: 1.505
Molar Refractivity: 32.96 cm³
Molar Volume: 111 cm³
Density: 0.991 g/cm³
Flash Point: 114.5 °C
Melting point: 129-131 °C
Surface Tension: 38.1 dyne/cm
Enthalpy of Vaporization: 47.56 kJ/mol
Boiling Point: 258 °C at 760 mmHg
Vapour Pressure of 1H-Imidazole,2-(1-methylethyl)- (CAS NO.36947-68-9): 0.0227 mmHg at 25 °C
Product Categories of 1H-Imidazole,2-(1-methylethyl)- (CAS NO.36947-68-9): Imidazoles; Building Blocks; Heterocyclic Building Blocks
Canonical SMILES: CC(C)C1=NC=CN1
InChI: InChI=1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)
InChIKey: FUOZJYASZOSONT-UHFFFAOYSA-N

2-Isopropylimidazole Safety Profile

Hazard Codes: Irritant Xi
Risk Statements :36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3

2-Isopropylimidazole Specification

1H-Imidazole,2-(1-methylethyl)- , its cas register number is 36947-68-9. It also can be called 2-Isopropyl-1H-imidazole ; and 2-Isopropylimidazole .

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