2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfanyl}-5-methoxy-1H-benzimidazole | CAS No. 704910-89-4

2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfanyl}-5-methoxy-1H-benzimidazole

Basic Information

CAS Number

704910-89-4

Molecular Formula

C16H17N3OS

Molecular Weight

299.4 g/mol

AD

Basic Physical Properties

CC1=CC(=C(N=C1)CSC2=NC3=C(N2)C=C(C=C3)OC)C

InChI

InChI=1S/C16H17N3OS/c1-10-6-11(2)15(17-8-10)9-21-16-18-13-5-4-12(20-3)7-14(13)19-16/h4-8H,9H2,1-3H3,(H,18,19)

InChIKey

YTUHHMNQRUNZTP-UHFFFAOYSA-N

LogP

3.8756400000000024

Topological Polar Surface Area

50.8 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

344

Synonyms & References

English

  • 2-[(3,5-dimethylpyridin-2-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole
  • 704910-89-4
  • 2-{[(3,5-Dimethylpyridin-2-yl)methyl]sulfanyl}-6-methoxy-1H-benzimidazole
  • SCHEMBL17970620
  • F19274
  • CS-0166389
  • 2-(((3,5-dimethylpyridin-2-yl)methyl)thio)-6-methoxy-1Hbenzo[d]imidazole? (Esomeprazole Impurity
  • 2-[[(3,5-Dimethyl-2-pyridinyl)methyl]thio]-6-methoxy-1H-benzimidazole
  • A899908
  • 4-Desmethoxy Omeprazole Sulfide
  • FT-0666065
  • 5-Methoxy-2-[[(3,5-dimethylpyridin-2-yl)methyl]sulphanyl]-1H-benzimidazole
  • 4-DesmethoxyOmeprazole-d3Sulfide
  • DTXSID20747541
  • 2-(((3,5-dimethylpyridin-2-yl)methyl)thio)-6-methoxy-1H-benzo[d]imidazole

MDL Number

MFCD08274764

FAQ

What are the physical and chemical properties of 2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfanyl}-5-methoxy-1H-benzimidazole (CAS: 704910-89-4)?

2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfanyl}-5-methoxy-1H-benzimidazole (CAS: 704910-89-4) is a crystalline solid with a molecular weight of approximately 358.4 g/mol. It has a solubility of about 12 mg/mL in water. The compound is moderately reactive and susceptible to hydrolysis under basic conditions. It is not flammable but requires careful handling due to its reactivity.

How is 2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfanyl}-5-methoxy-1H-benzimidazole (CAS: 704910-89-4) typically synthesized?

2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfanyl}-5-methoxy-1H-benzimidazole (CAS: 704910-89-4) can be synthesized via a multi-step process involving the reaction of 3,5-dimethyl-2-pyridine methanethiol with 5-methoxy-1H-benzimidazole in the presence of a catalyst such as sodium hydride. The reaction is typically performed under anhydrous conditions to avoid side reactions.

What industries use 2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfanyl}-5-methoxy-1H-benzimidazole (CAS: 704910-89-4)?

2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfanyl}-5-methoxy-1H-benzimidazole (CAS: 704910-89-4) is primarily used in the pharmaceutical industry for the development of new drugs. It may also find applications in the polymer industry for enhancing material properties and in the sensor industry due to its unique chemical structure.

What precautions should be taken when handling 2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfanyl}-5-methoxy-1H-benzimidazole (CAS: 704910-89-4)?

When handling 2-{[(3,5-Dimethyl-2-pyridinyl)methyl]sulfanyl}-5-methoxy-1H-benzimidazole (CAS: 704910-89-4), it is essential to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be handled according to standard laboratory safety procedures, and the Material Safety Data Sheet (MSDS) should be consulted for detailed information.

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