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Cas Database |
| Name |
5,6-Dimethylbenzimidazole |
EINECS | 209-488-1 |
| CAS No. | 582-60-5 | Density | 1.145 g/cm3 |
| PSA | 28.68000 | LogP | 2.17970 |
| Solubility | soluble | Melting Point |
202-205 °C(lit.) |
| Formula | C9H10N2 | Boiling Point | 376.8 °C at 760 mmHg |
| Molecular Weight | 146.192 | Flash Point | 208.6 °C |
| Transport Information | N/A | Appearance | light beige powder |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzimidazole, 5,6-dimethyl-;1H-Benzimidazole, 5,6-dimethyl-;5,6-dimethyl-1H-benzoimidazole;5-23-06-00454 (Beilstein Handbook Reference);5,6-dimethyl-1H-benzimidazole;Dimezol base;Dimedazol;Dimethylbenzimidazole; |
Article Data | 61 |
5,6-Dimethylbenzimidazole Synthetic route
- 3171-45-7
4,5-dimethyl-1,2-phenylenediamine
- 122-51-0
orthoformic acid triethyl ester
- 582-60-5
5,6-dimethyl-1H-benzo[d]imida-zole
| Conditions | Yield |
|---|---|
| With gallium(III) triflate at 20℃; for 0.1h; | 99% |
| With aminosulfonic acid In methanol at 20℃; for 1h; | 94% |
| iodine In acetonitrile at 20℃; for 0.666667h; | 93% |
| Conditions | Yield |
|---|---|
| With iron; ammonium chloride at 68 - 70℃; for 48h; Inert atmosphere; | 99% |
- 4252-31-7
N-formylbenzamide
- 3171-45-7
4,5-dimethyl-1,2-phenylenediamine
- 582-60-5
5,6-dimethyl-1H-benzo[d]imida-zole
| Conditions | Yield |
|---|---|
| With pyridinium p-toluenesulfonate In tetrahydrofuran at 50℃; for 9h; Inert atmosphere; Green chemistry; | 96% |
| Conditions | Yield |
|---|---|
| With gold nano particles supported on rutile TiO2 In toluene at 70℃; under 750.075 Torr; for 6h; Inert atmosphere; chemoselective reaction; | 95% |
- 6972-71-0
4,5-dimethyl-2-nitrobenzenamine
- 122-51-0
orthoformic acid triethyl ester
- 582-60-5
5,6-dimethyl-1H-benzo[d]imida-zole
| Conditions | Yield |
|---|---|
| With 10% Pd/C; hydrogen; acetic acid In methanol at 20℃; under 760.051 Torr; | 94% |
| With iron; ytterbium(III) triflate at 75℃; for 3h; | 82% |
- 64-18-6
formic acid
- 3171-45-7
4,5-dimethyl-1,2-phenylenediamine
- 582-60-5
5,6-dimethyl-1H-benzo[d]imida-zole
| Conditions | Yield |
|---|---|
| With tetrabutyl-ammonium chloride In water; toluene at 160℃; for 0.166667h; Microwave irradiation; | 93% |
| With chloro-trimethyl-silane In water; N,N-dimethyl-formamide at 120℃; for 0.166667h; Microwave irradiation; | 93% |
| In methanol at 20℃; under 1551.49 Torr; Flow reactor; Inert atmosphere; | 38% |
- 124-38-9
carbon dioxide
- 3171-45-7
4,5-dimethyl-1,2-phenylenediamine
- 582-60-5
5,6-dimethyl-1H-benzo[d]imida-zole
| Conditions | Yield |
|---|---|
| With bis[1,2-bis(diphenylphosphine)ethane]ruthenium dichloride; hydrogen at 120℃; under 112511 Torr; for 40h; Green chemistry; | 93% |
| With dimethylamine borane In ethanol; water at 100℃; under 750.075 Torr; for 24h; | 93% |
| With tris(pentafluorophenyl)borate; phenylsilane In tetrahydrofuran at 120℃; under 7500.75 Torr; for 24h; Autoclave; | 62% |
- 3171-45-7
4,5-dimethyl-1,2-phenylenediamine
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 582-60-5
5,6-dimethyl-1H-benzo[d]imida-zole
| Conditions | Yield |
|---|---|
| With Imidazole hydrochloride at 120℃; for 6h; | 93% |
| With phenylsilane at 120℃; for 12h; | 50% |
| With Triethoxysilane; carbon dioxide; tris(pentafluorophenyl)borate at 120℃; for 24h; | 99 %Spectr. |
- 15776-99-5
1-benzyl-5,6-dimethyl-1H-benzo[d]imidazole
- 582-60-5
5,6-dimethyl-1H-benzo[d]imida-zole
| Conditions | Yield |
|---|---|
| With triethylsilane; palladium 10% on activated carbon In tetrahydrofuran at 20℃; for 18h; Inert atmosphere; | 92% |
- 144-62-7
oxalic acid
- 3171-45-7
4,5-dimethyl-1,2-phenylenediamine
- 582-60-5
5,6-dimethyl-1H-benzo[d]imida-zole
| Conditions | Yield |
|---|---|
| In 1,4-dioxane at 120℃; for 6h; Green chemistry; | 92% |
5,6-Dimethylbenzimidazole Consensus Reports
5,6-Dimethylbenzimidazole Specification
The 5,6-Dimethylbenzimidazole, with the CAS registry number 582-60-5, is also known as 1H-Benzimidazole, 5,6-dimethyl-. It belongs to the product categories of Benzimidazole; Imidazol & Benzimidazole; Benzimidazoles; Building Blocks; Heterocyclic Building Blocks. Its EINECS registry number is 209-488-1. This chemical's molecular formula is C9H10N2 and molecular weight is 146.19. Its IUPAC name is called 5,6-dimethyl-1H-benzimidazole. What's more, this chemical is mainly used for synthesis of vitamin B12. When you are using this chemical, please be cautious about it. You should avoid contact with skin and eyes. The product should be sealed and stored in cool and dry place.
Physical properties of 5,6-Dimethylbenzimidazole: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 5.5): 1.37; (3)ACD/LogD (pH 7.4): 2.26; (4)ACD/BCF (pH 5.5): 3.85; (5)ACD/BCF (pH 7.4): 30.27; (6)ACD/KOC (pH 5.5): 49.45; (7)ACD/KOC (pH 7.4): 389.15; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.644; (11)Molar Refractivity: 46.26 cm3; (12)Molar Volume: 127.6 cm3; (13)Surface Tension: 50.4 dyne/cm; (14)Density: 1.145 g/cm3; (15)Flash Point: 208.6 °C; (16)Enthalpy of Vaporization: 60 kJ/mol; (17)Boiling Point: 376.8 °C at 760 mmHg; (18)Vapour Pressure: 1.53E-05 mmHg at 25°C.
Uses of 5,6-Dimethylbenzimidazole: it can be used to produce 1-benzoyl-5,6-dimethyl-1H-benzoimidazole with benzoyl chloride at ambient temperature. This reaction will need reagent triethylamine and solvent CHCl3 with reaction time of 1 hour. The yield is about 82%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC2=C(C=C1C)N=CN2
(2)InChI: InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
(3)InChIKey: LJUQGASMPRMWIW-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | Russian Pharmacology and Toxicology Vol. 41, Pg. 249, 1978. |
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