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5-(1H-??-1-?)-2-??????????

5-(1H-??-1-?)-2-??????????
5-(1H-??-1-?)-2-?????????? ??? ???
?? ??:
172152-53-3
???:
5-(1H-??-1-?)-2-??????????
???(??):
5-(1H-??-1-?)-2-??????????
???:
5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol
???(??):
5-(1H-pyrrol-1-yl)-1H-benzo[d]iMidazole-2-thiol;Ilaprazole Impurity A;Ilaprazole Intermediate 2;Enavogliflozin Impurity 21;Ilaprazole intermediate P-3;5-Pyrrol-1-yl-1H-benzoimidazole-2-thiol;5-(1H-Pyroll-1-yl)-2-Mercaptobenzimidazole;5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole;5-(1H-purrole-1-yl)-2-marcapto- benzimidazole;5-pyrrol-1-yl-1,3-dihydrobenzimidazole-2-thione
CBNumber:
CB32521216
???:
C11H9N3S
??? ??:
215.27
MOL ??:
172152-53-3.mol

5-(1H-??-1-?)-2-?????????? ??

?? ?
381.7±44.0 °C(Predicted)
??
1.40
?? ??
2-8°C
???
DMSO (?? ???), ??????? (?? ???), ??? (?? ???)
???
DMSO(?? ???), ???????(?? ???), ???(?? ???)
??? ??
??
??? ??
??? ??
?? ?? (pKa)
9.61±0.30(Predicted)
??
???? ?? ??
InChI
InChI=1S/C11H9N3S/c15-11-12-9-4-3-8(7-10(9)13-11)14-5-1-2-6-14/h1-7H,(H2,12,13,15)
InChIKey
YYXGYVYKGRUILQ-UHFFFAOYSA-N
SMILES
C1(=S)NC2=CC=C(N3C=CC=C3)C=C2N1
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
????(GHS): GHS hazard pictograms
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? GHS hazard pictograms P264, P270, P301+P312, P330, P501
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H332 ???? ??? ?? ?? ?? ?? ?? 4 ?? GHS hazard pictograms P261, P271, P304+P340, P312
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ?? GHS hazard pictograms
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P280 ????/???/???/?????? ?????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.

5-(1H-??-1-?)-2-?????????? C??? ??, ??, ??

??

5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole is a pharmaceutical intermediate compound used in the synthesis of various drugs such as ilaprazole, gastric and ulcer drugs.

Synthesis

Water (100ml) and anhydrous sodium acetate (16.02g, 0.20mole) were added, and then 2-mercapto-5- aminobenzimidazole (32.27g, 0.20mole),2,5-dimethoxytetrahydrofuran (28.4g, 0.21mole), and acetic acid (100ml) were added. Then, stirring was carried out at 5O℃ for 4 hours. The resultant product was cooled to 50C, and tetrahydrofuran (420ml) was added. The mixture was neutralized with a sodium hydroxide aqueous solution, and water (130ml) was added to carry out layer- separation. Then, an organic layer was washed with a sodium hydroxide aqueous solution. The organic layer was dried by anhydrous magnesium sulfate and concentrated, and then crystallized by ethyl acetate and n-hexane to provide a final compound, that is 5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol. Yield: 35.7g (85%)

5-(1H-??-1-?)-2-?????????? ?? ?? ? ???

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5-(1H-??-1-?)-2-?????????? ?? ??

???( 198)?? ??
??? ?? ??? ?? ?? ? ??
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