Alternatived Products of [ 36801-01-1 ]
Product Details of [ 36801-01-1 ]
| CAS No. : | 36801-01-1 |
MDL No. : | MFCD00272354 |
| Formula : |
C7H5NS
|
Boiling Point : |
- |
| Linear Structure Formula : | - |
InChI Key : | MVPUXVBBHWUOFS-UHFFFAOYSA-N |
| M.W : |
135.19
|
Pubchem ID : | 585058 |
| Synonyms : |
|
Chemical Name : | 4-Mercaptobenzonitrile |
Application In Synthesis of [ 36801-01-1 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
- Downstream synthetic route of [ 36801-01-1 ]
- 1
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[ 3107-19-5 ]
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[ 36801-01-1 ]
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[ 1620782-91-3 ]
| Yield | Reaction Conditions | Operation in experiment |
| 56.4% |
With potassium carbonate; In N,N-dimethyl-formamide; at 100℃; for 3.5h; |
4-[4-(5-Amino-lH-[l,2,4]triazol-3-ylamino)-2,6-dichloro-phenylsulfanyl]-benzonitrU^ (Compound 12) 4-(2,6-dichloro-4-nitrophenylthio)benzonitrile In a 250-mL round-bottomed flask, l,3-dichloro-2-fluoro-5-nitrobenzene (1.5 g, 7.14 mmol, Eq: 1.00), 4-mercaptobenzonitrile (966 mg, 7.14 mmol, Eq: 1.00) and potassium carbonate (1.09 g, 7.86 mmol, Eq: 1.1) were combined with N,N-dimethylformamide (30 mL) to give a light brown suspension. The reaction mixture was heated at 100 C for 3.5 hrs. After this time the mixture was poured into water to give a yellow suspension. The suspension was extracted with ethyl acetate, and the organic phase was dried over sodium sulfate, filtered, and concentrated to afford the crude product as a yellow oil. This product was dissolved in methylene chloride and the resulting solution was concentrated over silica gel. The silica-gel supported crude product was loaded onto a 120 gram silica gel column. Flash chromatography (100% hexanes ramped to 5% ethyl acetate in hexanes) afforded 1.31 g (56.4%) of 4-(2,6-dichloro-4- nitrophenylthio)benzonitrile as a yellow solid. |
- 2
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[ 36801-01-1 ]
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[ 109431-87-0 ]
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tert-butyl (R)-3-((4-cyanophenyl)thio)pyrrolidine-1-carboxylate
[ No CAS ]
| Yield | Reaction Conditions | Operation in experiment |
| 61.3% |
|
To the stirred solution of 4-mercaptobenzonitrile (7.4 g, 49 mmol) and tert- butyl (S)-3- hydroxypyrrolidine-l-carboxylate (9.2 g, 49 mmol) in tetrahydrofuran (70 mL), triphenylphosphine (19.4 g, 74 mmol) was added. The reaction mixture was degassed with nitrogen for 10 min and cooled to 0 C. Diisopropyl azodicarboxylate (14 mL, 74 mmol) was added to reaction mixture at 0 C drop wise. The reaction mixture was stirred at 25 C for 16 h. Upon completion of the reaction, the reaction mixture was diluted with water (100 mL) and product was extracted twice by dichloromethane (100 mL). The combined dichloromethane layer was dried over anhydrous sodium sulphate and evaporated under reduced pressure to obtain a crude compound. The crude compound was purified by flash column chromatography using 20% ethyl acetate in hexane as an eluent to obtain tert- butyl (R)-3-((4- cyanophenyl)thio)pyrrolidine-l-carboxylate (9.2 g, 30.2 mmol, 61.3 % yield) as colorless oil. |
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