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[ CAS No. 27231-36-3 ]

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Chemical Structure| 27231-36-3
Chemical Structure| 27231-36-3
Structure of 27231-36-3 * Storage: {[proInfo.prStorage]}

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Product Details of [ 27231-36-3 ]

CAS No. :27231-36-3 MDL No. :MFCD00010617
Formula : C8H8N2S Boiling Point : 282.5°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :164.23 g/mol Pubchem ID :-
Synonyms :

Safety of [ 27231-36-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 27231-36-3 ]

  • Downstream synthetic route of [ 27231-36-3 ]

[ 27231-36-3 ] Synthesis Path-Downstream   1~26

  • 1
  • [ 39267-05-5 ]
  • [ 27231-36-3 ]
  • 3,10-dimethyl-benzo[4',5']imidazo[2',1':2,3]thiazolo[4,5-<i>b</i>]quinoxaline [ No CAS ]
  • 2
  • [ 2379-60-4 ]
  • [ 27231-36-3 ]
  • 10-methyl-2-nitro-benzo[4',5']imidazo[2',1':2,3]thiazolo[4,5-<i>b</i>]quinoxaline [ No CAS ]
  • 3
  • [ 2958-87-4 ]
  • [ 27231-36-3 ]
  • 3-chloro-10-methyl-benzo[4',5']imidazo[2',1':2,3]thiazolo[4,5-<i>b</i>]quinoxaline [ No CAS ]
  • 4
  • [ 75-03-6 ]
  • [ 27231-36-3 ]
  • [ 106039-67-2 ]
YieldReaction ConditionsOperation in experiment
With DBN In N,N-dimethyl-formamide at 45 - 55℃; for 14h;
  • 5
  • [ 140-89-6 ]
  • [ 496-72-0 ]
  • [ 27231-36-3 ]
YieldReaction ConditionsOperation in experiment
85% In ethanol; water monomer for 8h; Heating;
81% With water monomer In ethanol at 80℃; for 16h; Sealed tube; 2.3.1 Preparation of 5-methyl-2-thiobenzimidazole (3) To a 10 mL microwave vial was added 5-methyl-1,2-diaminobenzene (181 mg, 1.5 mmol) and potassium ethyl xanthogenate (285 mg, 1.8 mmol, 1.2 equiv).2 mL ethanol was added, followed by 1 mL water and the mixture was sonicated for 10 min until only a fine powder remained. The vial was capped and crimped and the reaction was then placed in an 80 °C bath and heated for 16 h. The vial was then allowed to cool to room temperature and water (15 mL) was added. A white solid precipitated. The pH of the solution was adjusted to ca.5 (some solid dissolved) and the solution was filtered and the residue was washed with water (2 x 30 mL). The residue was then dried under airflow to afford a white solid.198 mg, 81%.1H NMR (300 MHz, DMSO-d6) δ 12.78 - 11.90 (br s, 2H), 7.08 - 6.99 (m, 1H), 6.94 (d, J = 8.1 Hz, 2H), 2.34 (s, 3H). Spectral data are in agreement with the literature. Mavrova et al., 2015.
81% With water monomer In ethanol at 80℃; for 16h; Sealed tube; 2.3.1 Preparation of 5-methyl-2-thiobenzimidazole (3) To a 10 mL microwave vial was added 5-methyl-1,2-diaminobenzene (181 mg, 1.5 mmol) and potassium ethyl xanthogenate (285 mg, 1.8 mmol, 1.2 equiv).2 mL ethanol was added, followed by 1 mL water and the mixture was sonicated for 10 min until only a fine powder remained. The vial was capped and crimped and the reaction was then placed in an 80 °C bath and heated for 16 h. The vial was then allowed to cool to room temperature and water (15 mL) was added. A white solid precipitated. The pH of the solution was adjusted to ca.5 (some solid dissolved) and the solution was filtered and the residue was washed with water (2 x 30 mL). The residue was then dried under airflow to afford a white solid.198 mg, 81%.1H NMR (300 MHz, DMSO-d6) δ 12.78 - 11.90 (br s, 2H), 7.08 - 6.99 (m, 1H), 6.94 (d, J = 8.1 Hz, 2H), 2.34 (s, 3H). Spectral data are in agreement with the literature. Mavrova et al., 2015.
  • 7
  • [ 125163-08-8 ]
  • [ 27231-36-3 ]
  • [ 104658-76-6 ]
YieldReaction ConditionsOperation in experiment
89% With sodium hydroxide In methanol; water for 1h; Heating;
  • 8
  • [ 353-83-3 ]
  • [ 27231-36-3 ]
  • [ 105771-14-0 ]
YieldReaction ConditionsOperation in experiment
58% With DBN In N,N-dimethyl-formamide at 45 - 55℃; for 14h;
  • 9
  • 1-(2-chloroethyl)-2-methyl-5-nitro-1H-imidazole hydrochloride [ No CAS ]
  • [ 27231-36-3 ]
  • 5-Methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethylsulfanyl]-1H-benzoimidazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% With potassium carbonate In acetone for 20h; Heating;
  • 10
  • [ 114060-09-2 ]
  • [ 27231-36-3 ]
  • [ 106746-94-5 ]
YieldReaction ConditionsOperation in experiment
73% In ethanol for 2h;
  • 11
  • [ 27231-36-3 ]
  • potassium 5-methylbenzimidazole-2-sulfonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With KO2 In pyridine at 60℃; for 6h;
  • 12
  • [ 67-56-1 ]
  • [ 27231-36-3 ]
  • [ 614-97-1 ]
  • 5-methyl-2-methoxybenzimidazole [ No CAS ]
  • 13
  • [ 107-10-8 ]
  • [ 27231-36-3 ]
  • [ 614-97-1 ]
  • 5-methyl-2-(propylamino)benzimidazole [ No CAS ]
  • 14
  • [ 75-04-7 ]
  • [ 27231-36-3 ]
  • [ 614-97-1 ]
  • N-ethyl-5-methyl-1H-benzo[d]imidazol-2-amine [ No CAS ]
  • 15
  • [ 27231-36-3 ]
  • [ 109-73-9 ]
  • [ 614-97-1 ]
  • 5-methyl-2-(butylamino)benzimidazole [ No CAS ]
  • 16
  • [ 27231-36-3 ]
  • [ 614-97-1 ]
  • [ 6285-68-3 ]
  • 18
  • [ 75-15-0 ]
  • [ 496-72-0 ]
  • [ 27231-36-3 ]
YieldReaction ConditionsOperation in experiment
90% With 2,3,4,5,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium acetate In neat (no solvent) at 20℃; for 0.5h; General procedure: The basic procedure for preparing all products was similar. Taking the entry 1 inTable 2 as an example: 1a (2 mmol) and [DBUH][OAc] (1 mL) were added to a 10mLflask and stirred at room temperature. After 30 minutes, adding 5mL water into theflask dispersed the solid product, which could be separated by filtration. The solid wasrecrystallized from an ethyl acetate and petroleum ether mixture (v/v, 1/1) to get 2a.The aqueous residue was evaporated under vacuum at 50C for 8 h and reused in thenext run. All the products were known compounds, and the characteristic data accordedwith the relevant literature.
86% With potassium hydroxide In N,N-dimethyl acetamide for 0.0416667h; Irradiation;
With potassium hydroxide In methanol; water
With sodium hydroxide In ethanol; water Reflux;
With potassium hydroxide In water at 70℃;

  • 19
  • [ 4897-25-0 ]
  • [ 27231-36-3 ]
  • 5-Methyl-2-(3-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole [ No CAS ]
  • 21
  • [ 27231-36-3 ]
  • [ 6285-68-3 ]
YieldReaction ConditionsOperation in experiment
63% With ammonia; ozone In dichloromethane at 25℃;
  • 22
  • 2-chloromethyl-3,5-dimethylpyridine hydrochloride [ No CAS ]
  • [ 27231-36-3 ]
  • 2-(3,5-Dimethyl-pyridin-2-ylmethylsulfanyl)-5-methyl-1H-benzoimidazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% With sodium hydroxide In methanol Heating;
  • 23
  • [ 698-80-6 ]
  • [ 27231-36-3 ]
  • 2-(3,4-difluoro-benzylsulfanyl)-6-methyl-1<i>H</i>-benzoimidazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
68% Stage #1: 2-mercapto-5-methylbenzimidazole With sodium methylate In methanol; N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: 4-(chloromethyl)-1,2-difluorobenzene In methanol; N,N-dimethyl-formamide at 20℃;
  • 24
  • [ 75462-59-8 ]
  • [ 27231-36-3 ]
  • 2-(3,5-bis-trifluoromethyl-benzylsulfanyl)-6-methyl-1<i>H</i>-benzoimidazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% Stage #1: 2-mercapto-5-methylbenzimidazole With sodium methylate In methanol; N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: 3,5-bis(trifluoromethyl)benzyl chloride In methanol; N,N-dimethyl-formamide at 20℃;
  • 25
  • [ 64407-07-4 ]
  • [ 27231-36-3 ]
  • [ 449813-41-6 ]
  • 26
  • [ 68220-26-8 ]
  • [ 27231-36-3 ]
  • 2-(2-chloro-6-fluoro-benzylsulfanyl)-6-methyl-1<i>H</i>-benzoimidazole [ No CAS ]
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