5-BROMO-2-METHYL-1H-BENZIMIDAZOLE
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5-BROMO-2-METHYL-1H-BENZIMIDAZOLE
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CAS No:
1964-77-8
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Formula:
C8H7BrN2
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Chemical Name:
5-BROMO-2-METHYL-1H-BENZIMIDAZOLE
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Synonyms:
5-BROMO-2-METHYL-1H-BENZIMIDAZOLE;5-BROMO-2-METHYL-1H-BENZO[D]IMIDAZOLE;5-BROMO-2-METHYLBENZIMIDAZOLE;5-BROMO-2-METHYL-1H-BENZ(D)IMIDAZOLE;5-Bromo-2-methylbenzoimidazole;1H-BenziMidazole, 6-broMo-2-Methyl-;5-broMo-2-Methyl-1H-1,3-benzodiazole;5-Bromo-2-methyl-1H-benzoimidazole
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CAS No:
Characteristics
28.7
2.8
1.654±0.06 g/cm3(Predicted)
214-215 °C
397.3±15.0 °C(Predicted)
194.1±20.4 °C
1.697
3.66E-06mmHg at 25°C
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-BROMO-2-METHYL-1H-BENZIMIDAZOLE Use and Manufacturing
General procedure: A mixture of o-phenylenediamine (1.0 mmol), triethyl orthoformate (1.2 mmol) and ZrClGeneral procedure: To a solution of o-diaminobenzene (5.0 mmol, 0.5405 g) and Weinreb amide (N-methoxy-Nmethylbenzamide, 5.0 mmol, 0.82595 g) in dioxane (10 mL), boron trifluoride diethyl etherate (5.0 mmol) was added at room temperature. The reaction mixture was stirred for the specified time (Table 3) at 100 °C. TLC revealed the complete consumption of starting material. Subsequently hydrolysis was achieved by the addition of saturated NH4Cl solution (50 mL). The aqueous layer was extracted with ethyl acetate (3 X 25 mL), washed with water (2 X 25 mL), brine solution (2 X 25 mL), dried over anhydrous Na2SO4 and concentrated under vacuum to get crude product. This was purified by column chromatography over silica gel using hexane/ethyl acetate mixture in 1:1 ratios as eluent.General procedure: 2-Nitroaniline derivative (1 mmol) was added to a mixture of indium powder (574 mg, 5.0 mmol for 2-nitroaniline, 918 mg 8.0 mmol for 1, 2-dinitroarene), and acetic acid (0.572 mL, 10 mmol) in ethyl acetate (2 mL), followed by the addition of trimethyl orthoester (2.0 mmol) in ethyl acetate (3 mL for 2-nitroaniline; 8 mL for 1, 2-dinitroarene). The reaction mixture was stirred at reflux under a nitrogen atmosphere. After the reaction was completed, the reaction mixture was diluted with ethyl acetate (30 mL), filtered through Celite, poured into 10percent NaHCO
Computed Properties
Molecular Weight:211.06
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:209.97926
Monoisotopic Mass:209.97926
Topological Polar Surface Area:28.7
Heavy Atom Count:11
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-BROMO-2-METHYL-1H-BENZIMIDAZOLE
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