2-{[(4-Chloro-3-methyl-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole | CAS No. 103312-62-5

2-{[(4-Chloro-3-methyl-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole

Basic Information

CAS Number

103312-62-5

Molecular Formula

C14H12ClN3S

Molecular Weight

289.79 g/mol

AD

Basic Physical Properties

Boiling Point

495.38°C at 760 mmHg

Density

1.4

Flash Point

495.38 °C at 760 mmHg

Refractive Index

1.707

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)Cl

InChI

InChI=1S/C14H12ClN3S/c1-9-10(15)6-7-16-13(9)8-19-14-17-11-4-2-3-5-12(11)18-14/h2-7H,8H2,1H3,(H,17,18)

InChIKey

NKBICFMRRCFCFT-UHFFFAOYSA-N

LogP

4.2120200000000025

Topological Polar Surface Area

41.57 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

304

Synonyms & References

English

  • 2-((4-chloro-3-methylpyridin-2-yl)thio)-1H-benzo[d]imidazole
  • A926955
  • EC 600-417-3
  • 2-(((4-Chloro-3-methylpyridin-2-yl)-methyl)thio)-1H-benzo[d]imidazole
  • 2-[[(4-chloro-3-methyl-2-pyridinyl)methyl]thio]-1H-benzimidazole
  • NS00008699
  • 2-(((4-Chloro-3-methylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
  • 2-[(4-Choloro-3-methyl-2-pyridinyl methyl)thio]-1H-benzimidazole
  • 103312-62-5
  • NKBICFMRRCFCFT-UHFFFAOYSA-N
  • J-000929
  • 2-[(4-chloro-3-methyl-2-pyridyl)methylsulfanyl]-1H-benzimidazole
  • F95306
  • SCHEMBL1268987
  • tert-butyl?6-methylpyridin-3-ylcarbamate
  • 2-(((4-Chloro-3-methyl-2-pyridinyl)methyl)thio)-1H-benzimidazole
  • AKOS015909265
  • 4-Desmethoxypropoxyl-4-chloro Rabeprazole Sulfide
  • 2-[(4-Chloro-3-methyl-2-pyridinyl)methylthio]-1H-benzimidazole
  • 2-[(4-chloro-3-methylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole
  • 2-{[(4-Chloro-3-methylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole
  • FT-0666067
  • DTXSID80468008
  • AC-7778
  • 2-[(4-Chloro-3-Methyl-2-Pyridinyl-methyl)thio]-1H-Benzimidazole
  • 1H-Benzimidazole,2-[[(4-chloro-3-methyl-2-pyridinyl)methyl]thio]-
  • 2-[(4-Chloro-3-Methyl-2-pyridinyl)methylthio]-1H-benzimidazole
  • Rabeprazole Impurity 4
  • Lansoprazole impurity N
  • Rabeprazole sodium Impurity I
  • Lansoprazole EP IMpurity F Sulfide

MDL Number

MFCD08282361

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-{[(4-Chloro-3-methyl-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole (CAS: 103312-62-5)?

2-{[(4-Chloro-3-methyl-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole is a crystalline compound with a molecular weight of approximately 313.02 g/mol. It has limited solubility in water but is more soluble in organic solvents like ethanol and dichloromethane. The compound is known to be chemically stable under normal conditions but exhibits acidity and can undergo substitution reactions under certain conditions.

How is 2-{[(4-Chloro-3-methyl-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole (CAS: 103312-62-5) typically synthesized?

2-{[(4-Chloro-3-methyl-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole is typically synthesized via a Grignard reaction followed by a sulfide addition. The synthesis involves the reaction of 4-chloro-3-methyl-2-pyridine with a Grignard reagent, followed by the addition of a benzimidazole derivative. The process requires precise control of reaction conditions to achieve high yield and selectivity.

What industries use 2-{[(4-Chloro-3-methyl-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole (CAS: 103312-62-5)?

2-{[(4-Chloro-3-methyl-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole is primarily used in the pharmaceutical industry due to its potential as an antitumor agent. It is also explored for its applications in sensors and semiconductors, although its use in these areas is less common compared to pharmaceuticals.

What precautions should be taken when handling 2-{[(4-Chloro-3-methyl-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole (CAS: 103312-62-5)?

Handling 2-{[(4-Chloro-3-methyl-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole should be done in a well-ventilated area, preferably in a fume hood. Protective equipment such as gloves, goggles, and a lab coat should be worn. In case of a spill, immediately clean up using appropriate absorbents and dispose of according to local regulations. Always consult the safety data sheet (SDS) for detailed information on handling and storage.

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