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CAS No.: | 13750-62-4 |
---|---|
Name: | 1-Benzyl-2-methyl-1H-imidazole |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C11H12N2 |
Molecular Weight: | 172.23 |
Synonyms: | Imidazole,1-benzyl-2-methyl- (8CI);1-Benzyl-2-methyl-1H-imidazole;1B2MZ;2-Methyl-N-benzylimidazole;Curezol 1B2MZ;Epicure BMI 12;JER Cure BMI 12;N-Benzyl-2-methylimidazole; |
EINECS: | 237-333-8 |
Density: | 1.03 g/cm3 |
Melting Point: | 120 - 127oC |
Boiling Point: | 296.8 °C at 760 mmHg |
Flash Point: | 136.3 °C |
Solubility: | Insoluble in water |
Appearance: | clear light yellow to amber liquid |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36-24/25 |
PSA: | 17.82000 |
LogP: | 2.23980 |
Conditions | Yield |
---|---|
Stage #1: 2-methylimidazole With sodium hydride at -0.16℃; Schlenk technique; Inert atmosphere; Stage #2: benzyl bromide In tetrahydrofuran Inert atmosphere; Schlenk technique; Reflux; | 99% |
With sodium hydroxide In water at 20℃; for 0.333333h; Temperature; Micellar solution; | 93% |
With N,N,N',N'',N'''-pentamethyldiethylenetriamine; potassium tert-butylate; copper(I) bromide In toluene at 20℃; for 9.5h; Inert atmosphere; | 90% |
With potassium carbonate In acetonitrile at 70℃; |
2-methylimidazole
N-benzyl-2-methylimidazole
Conditions | Yield |
---|---|
With ammonium formate; palladium on activated charcoal In methanol for 1h; Heating; | 97% |
Conditions | Yield |
---|---|
With N,N,N',N'',N'''-pentamethyldiethylenetriamine; potassium tert-butylate; copper(I) bromide In toluene at 20℃; for 9.5h; Inert atmosphere; | 89% |
With potassium carbonate In acetonitrile Reflux; | 80% |
With potassium carbonate In chloroform for 6h; Reflux; | 75.56% |
1-benzyl-2-(hydroxymethyl)imidazole hydrochloride
N-benzyl-2-methylimidazole
Conditions | Yield |
---|---|
With phosphorus; hydrogen iodide at 160℃; |
Conditions | Yield |
---|---|
With n-butyllithium 1.) Et2O, -78 deg C, 2.5 h; 20 deg C, 1 h, 2.) -78 deg C -> room temperature; room temperature, 15 min; Yield given. Multistep reaction; |
1-benzylimidazole
methyl iodide
A
N-benzyl-2-methylimidazole
B
2-methyl-1-(1-phenylethyl)-1H-imidazole
Conditions | Yield |
---|---|
With n-butyllithium Product distribution; multistep reaction: 1.) Et2O, -78 deg C, 0.5 h; other temperatures, times; reactions of lithiated N-protected imidazoles with various electrophiles; | A 46 % Spectr. B 25 % Spectr. |
With n-butyllithium 1) dimethoxyethane, -60 deg C, 10 min, 2) -60 deg C, 1.5 h, warm to r.t.; Yield given. Multistep reaction. Yields of byproduct given; |
2-methylimidazole
benzyl bromide
A
N-benzyl-2-methylimidazole
B
2-Methyl-4-phenylmethyl-1H-imidazole
Conditions | Yield |
---|---|
With sodium hydroxide 1) EtOH, reflux, 1 h; 2) reflux, 24 h; Yield given. Multistep reaction; |
N-benzyl-2-methylimidazole
2-methylimidazole
Conditions | Yield |
---|---|
With triethylsilane; palladium 10% on activated carbon In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; | 97% |
With potassium tert-butylate; oxygen; dimethyl sulfoxide at 0℃; for 0.25h; | 85% |
With ammonia; sodium |
Conditions | Yield |
---|---|
With dodecacarbonyl-triangulo-triruthenium In toluene at 160℃; under 15201 Torr; for 20h; Carbonylation; | 96% |
N-benzyl-2-methylimidazole
methyl iodide
1,2-Dimethyl-3-benzyl-imidazoliumiodid
Conditions | Yield |
---|---|
at 60℃; | 95% |
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IUPAC Name: 1-Benzyl-2-methylimidazole
Following is the structure of 1H-Imidazole,2-methyl-1-(phenylmethyl)- (CAS NO.13750-62-4):
Empirical Formula: C11H12N2
Molecular Weight: 172.2264 g/mol
EINECS: 237-333-8
Index of Refraction: 1.571
Molar Refractivity: 54.96 cm3
Molar Volume: 167.2 cm3
Density: 1.03 g/cm3
Flash Point: 136.3 °C
Surface Tension: 38.2 dyne/cm
Enthalpy of Vaporization: 51.52 kJ/mol
Boiling Point: 296.8 °C at 760 mmHg
Vapour Pressure: 0.00247 mmHg at 25 °C
Product Categories: Imidazol & Benzimidazole; Building Blocks; Heterocyclic Building Blocks; Imidazoles
Appearance of 1H-Imidazole,2-methyl-1-(phenylmethyl)- (CAS NO.13750-62-4): clear light yellow to amber liquid
Water Solubility of 1H-Imidazole,2-methyl-1-(phenylmethyl)- (CAS NO.13750-62-4): insoluble
Canonical SMILES: CC1=NC=CN1CC2=CC=CC=C2
InChI: InChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey: FBHPRUXJQNWTEW-UHFFFAOYSA
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LDLo | skin | 200mg/kg (200mg/kg) | National Technical Information Service. Vol. OTS0539680, | |
rat | LD50 | oral | 1gm/kg (1000mg/kg) | National Technical Information Service. Vol. OTS0539680, |
Hazard Codes: Xn,XiXi
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: NI7722500
1H-Imidazole,2-methyl-1-(phenylmethyl)- , its cas register number is 13750-62-4. It also can be called 1-Benzyl-2-methylimidazole ; and 1-Benzyl-2-methyl-1H-imidazole .
1H-Imidazole,2-methyl-1-(phenylmethyl)- (CAS NO.13750-62-4) is hazardous, so the first aid measures and others should be known. Such as: When on the skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water, and get medical aid immediately.
1H-Imidazole,2-methyl-1-(phenylmethyl)- (CAS NO.13750-62-4) should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: nitrogen oxides, carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported. In addition, it should be stored in a cool, dry place, or stored in a tightly closed container.