| Identification | More | [Name]
5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole | [CAS]
97963-62-7 | [Synonyms]
5-DIFLUORMETHOXY-2-MERCAPTO-1-1-1-BENZIMIDAZOLE
5-DIFLUORMETHOXY-2-MERCAPTO-1-H-BENZIMIDAZOLE
5-(DIFLUOROMETHOXY)-2-BENZIMIDAZOLETHIOL
5-DIFLUOROMETHOXY-2-MERCAPTO-1H-BENZIMIDAZOLE
5-(DIFLUOROMETHOXY)-2-MERCAPTOBENZIMIDAZOLE
5-DIFLUOROMETHOXY-2-THIO-BENZIMIDAZOLE
BUTTPARK 16\03-28
5-Difluormethoxy-2-mercaepto-1H-benzimidazole
5-(DIFLUOROMETHOXY)-2-MERCAPTO-1H-BENZI
1H-2-MERCAPTO-5-(DIFLUORO METHOXY) BENZIMIDAZOLE ≥98%
5-Difuormethoxy-2-Mercapto-1-H-Benzinmidazole
5-(Difluoromethoxy)-2-Mercapto-1H-Enzimidazole
5-Difluoromethoxy-2-mercapto-1H-Benzimidazole(Pantoprazole Intermediate
5-Difluormethoxy-2-Mercapto-1H-Benzinmidazole
5-Difluoro
5-Difluoromethoxy-2-mercapto-1H-benzimidazole 99%
5-Difluoromethoxy-2-mercapto-1H-benzimidazole99%
1H-2-mercapto-5-(difluoro methoxy)benzimidazole
2-Mercapto
5-Difluoromethoxy-1H-benzimidazole
5-(Difluoromethoxy)-2-mercapto-1H- | [EINECS(EC#)]
1806241-263-5 | [Molecular Formula]
C8H6F2N2OS | [MDL Number]
MFCD00467504 | [Molecular Weight]
216.21 | [MOL File]
97963-62-7.mol |
| Chemical Properties | Back Directory | [Appearance]
Pale Yellow Solid | [Melting point ]
239-243 °C(lit.)
| [Boiling point ]
303.5±52.0 °C(Predicted) | [density ]
1.52±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Store in freezer, under -20°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
neat | [pka]
9.77±0.30(Predicted) | [color ]
Pale Yellow | [InChI]
InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14) | [InChIKey]
HJMVPNAZPFZXCP-UHFFFAOYSA-N | [SMILES]
C1(=S)NC2=CC=C(OC(F)F)C=C2N1 | [CAS DataBase Reference]
97963-62-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29339900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Pale Yellow Solid | [Uses]
Pantoprazole EP Impurity C. Pantoprazole USP Related Compound C. | [General Description]
5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole may be used in the synthesis of pantoprazole, a drug for treating gastroesophageal reflux disease and gastrointestinal disorders. | [Synthesis]
In a four-necked flask equipped with a mechanical stirrer, a reflux condenser and a thermometer, the alkaline solution was prepared: 6.6 g of sodium carbonate was dissolved in 20 g of tap water, stirred until completely dissolved, cooled slightly, and then 34.8 g of 4-(difluoromethoxy)benzene-1,2-diamine was added, stirring was continued for 20 minutes. The reaction mixture was heated to 30°C and 20 g of carbon disulfide was slowly added dropwise, controlling the dropwise temperature at 25-35°C. After the dropwise addition was completed, the temperature was raised to 30-40°C and the condensation reaction was maintained at this temperature for 6 hours. Subsequently, continue heating to 60-70°C and maintain this temperature for cyclization for 6 hours. After the reaction was completed, activated carbon was added for decolorization. The pH of the filtrate was adjusted to 5-6 with sulfuric acid, and after filtration, washing and drying, 33.2 g of 5-difluoromethoxy-2-mercapto-1H-benzimidazole was obtained in 95.4% yield (based on 4-(difluoromethoxy)benzene-1,2-diamine). | [References]
[1] Patent: CN103539746, 2016, B. Location in patent: Paragraph 0037; 0038
[2] Advanced Synthesis and Catalysis, 2018, vol. 360, # 21, p. 4161 - 4167 |
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