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CAS No.: | 693-98-1 |
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Name: | 2-Methylimidazole |
Article Data: | 89 |
Cas Database | |
Molecular Structure: | |
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Formula: | C4H6N2 |
Molecular Weight: | 82.105 |
Synonyms: | 2-Methyl imidazole;2-methyl-1H-imidazole;Imidazole, 2-methyl-;2,4-diamino-6-[2'-methyl imidazolyl-(1')]-ethyl-s-triazine;1H-Imidazole, 2-methyl-;Curezol 2MZ;1H-Imidazole,2-methyl-;1H-imidazole, 1-butyl-; |
EINECS: | 211-765-7 |
Density: | 1.062 g/cm3 |
Melting Point: | 142-143 °C(lit.) |
Boiling Point: | 267 °C at 760 mmHg |
Flash Point: | 144.9 °C |
Solubility: | Soluble in water and ethanol. |
Appearance: | white to light yellow crystalline powder |
Hazard Symbols: |
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Risk Codes: | 26-36/37/39-45-25 |
Safety: | 26-36/37/39-45-25 |
Transport Information: | UN 3259 8/PG 2 |
PSA: | 28.68000 |
LogP: | 0.71810 |
N-benzyl-2-methylimidazole
2-methylimidazole
Conditions | Yield |
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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 sodium periodate; [N,N'-bis(salicylidene)-o-phenylenediaminato]manganese(III) chloride In water; acetonitrile at 20℃; for 0.416667h; | 93% |
With aluminum oxide; potassium permanganate In acetonitrile at 20℃; for 0.25h; | 92% |
With sodium periodate; (5,10,15,20-tetraphenylporphyrinato)manganese(III) chloride In water; acetonitrile at 20℃; for 5h; | 92% |
Conditions | Yield |
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With C70H40Cl2F68N2O6Pd2; tetrabutylammomium bromide; potassium carbonate In water at 140℃; for 0.416667h; Suzuki-Miyaura reaction; Microwave irradiation; | 93% |
Glyoxal
ammonia
isobutyraldehyde
methylamine
A
2-isopropyl-1-methyl-1(H)-imidazole
B
2-methylimidazole
Conditions | Yield |
---|---|
Stage #1: ammonia; isobutyraldehyde; methylamine In methanol; water at 25℃; for 1h; Stage #2: Glyoxal; ammonia at 25℃; for 1h; | A 88% B 3% |
Conditions | Yield |
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With ammonium bicarbonate In water at 15 - 30℃; for 0.0208333h; Temperature; Microwave irradiation; | 87.1% |
With ammonium hydroxide at 20℃; for 2h; | 8.9 g |
at 0 - 25℃; for 24h; |
Glyoxal
acetaldehyde
methylamine
A
1-methyl-1H-imidazole
B
1,2-dimethyl-1H-imidazole
C
2-methylimidazole
Conditions | Yield |
---|---|
With ammonium hydroxide In water at 25 - 70℃; under 225023 Torr; Pressure; Temperature; | A 6.27% B 85.1% C 6.59% |
2-methylimidazole
Conditions | Yield |
---|---|
In decalin at 195℃; for 2h; | 79% |
piperazine
A
1H-imidazole
B
1,4-pyrazine
C
1-methyl-1H-imidazole
D
2-Methylpyrazine
E
2-ethylpyrazine
F
2-methylimidazole
Conditions | Yield |
---|---|
Pt-Al2O3-In2O3-Re at 400℃; Product distribution; variation of catalyst, temperature; | A n/a B 78.7% C n/a D 1.6% E 3.5% F n/a |
1,4-di-tert-butyl-1,4-diazabutadiene
2-methylimidazole
Conditions | Yield |
---|---|
In diethyl ether at 800℃; under 0.0003 Torr; | 67% |
acetic acid methyl ester
ethylenediamine
A
lysidine
B
1-ethyl-2-methylimidazole
C
2-methylimidazole
Conditions | Yield |
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Pt/Al2O3 at 400℃; under 760 Torr; | A 7% B 10.5% C 62.5% |
2-Methylimidazole(CAS NO.693-98-1), its Synonyms are 1H-Imidazole, 2-methyl-; Imidazole, 2-methyl-; 2-Methyl-1H-imidazol; 2-Methyl-imidazol; Glyoxalethyline; p-Oxal-methyline. It is white to light yellow crystalline powder. 2-Methylimidazole is a monomethylated imidazole that can be used as a building block in the preparation of a wide range of biologically active compounds. 2-Methylimidazole as well as other imidazoles can be use as catalyst for refolding of enhanced coloured fluorescent protein. 2-Methylimidazole has been identified as a byproduct of fermentation and is detected in foods and mainstream and side-stream tobacco smoke.
Physical properties about 2-Methylimidazole are: (1)ACD/LogP: 0.031; (2)ACD/LogD (pH 5.5): -2.34; (3)ACD/LogD (pH 7.4): -1.04; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 2.10; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.523; (11)Molar Refractivity: 23.602 cm3; (12)Molar Volume: 77.255 cm3; (13)Polarizability: 9.357 10-24cm3; (14)Surface Tension: 43.7360000610352 dyne/cm; (15)Density: 1.063 g/cm3; (16)Flash Point: 144.854 °C; (17)Enthalpy of Vaporization: 48.465 kJ/mol; (18)Boiling Point: 267 °C at 760 mmHg; (19)Vapour Pressure: 0.0140000004321337 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
4. Avoid contact with eyes;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6);
(2)InChIKey=LXBGSDVWAMZHDD-UHFFFAOYSA-N;
(3)Smilesc1([nH]ccn1)C;
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 480mg/kg (480mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toxicology and Applied Pharmacology. Vol. 14, Pg. 301, 1969. |
mouse | LD50 | oral | 1400mg/kg (1400mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toxicology and Applied Pharmacology. Vol. 14, Pg. 301, 1969. |