1-Methyl-2-formylbenzimidazole
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1-Methyl-2-formylbenzimidazole
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CAS No:
3012-80-4
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Formula:
C9H8N2O
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Chemical Name:
1-Methyl-2-formylbenzimidazole
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Synonyms:
1H-Benzimidazole-2-carboxaldehyde,1-methyl-;2-Benzimidazolecarboxaldehyde,1-methyl-;1-Methyl-1H-benzimidazole-2-carboxaldehyde;1-Methyl-2-benzimidazolecarboxaldehyde;1-Methyl-2-formylbenzimidazole;2-Formyl-1-methylbenzimidazole;1-Methyl-1H-benzimidazol-2-carboxaldehyde;1-Methyl-1H-benzo[d]imidazole-2-carboxaldehyde;N-Methylbenzimidazole-2-carboxaldehyde;1-Methyl-2-formyl-1H-benzimidazole;1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde;1-Methylbenzimidazole-2-carbaldehyde;1-Methyl-1H-1,3-benzodiazole-2-carbaldehyde;1-Methyl-1H-benzimidazole-2-carbaldehyde
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CAS No:
Characteristics
34.9
1.1
Off-white to light beige crystalline powder
1.2±0.1 g/cm3
121 °C
332.7°C at 760 mmHg
155.0±23.2 °C
1.622
Safety Information
R36/37/38
S37/39-S26
Xi:Irritant;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Methyl-2-formylbenzimidazole Use and Manufacturing
General procedure: Heterocycle (0.10mmol, 1equiv)ammonium persulfate (0.30 mmol, 3 equiv), Cs2CO3(0.20mmol, 2 equiv)were placed in a dry glass tube.Then, anhydrous DMSO1 mL) and2, 2-diethoxyacetic acid (0.7mmol7equiv), wereinjected into the tube by syringe under a N2atmosphere.The solution was then stirred at roomtemperature under the irradiation of 15W blueLEDs strip for 24h.After completion of the reaction, the mixture was quenched by addition of1.2mL of 3.0 M HCl, stirred for 20hthen saturated Na2CO3solution was added to adjust pH tobasicextract with CH2Cl2, the combined organic layers was washed with brine, then dry overanhydrous Na2SO4. The desired products were obtained in thecorresponding yields afterpurification by flashchromatography on silica gel eluting with petroleum and ethylacetate.
Computed Properties
Molecular Weight:160.17
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:160.063662883
Monoisotopic Mass:160.063662883
Topological Polar Surface Area:34.9
Heavy Atom Count:12
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
