5,6-Dichloro-1-[1-(4-chlorobenzyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one | CAS No. 2134602-45-0

5,6-Dichloro-1-[1-(4-chlorobenzyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one

Basic Information

CAS Number

2134602-45-0

Molecular Formula

C19H18Cl3N3O

Molecular Weight

410.73 g/mol

AD

Basic Physical Properties

Density

1.428±0.06 g/cm3(Predicted)

c1cc(ccc1CN2CCC(CC2)n3c4cc(c(cc4[nH]c3=O)Cl)Cl)Cl

InChI

InChI=1S/C19H18Cl3N3O/c20-13-3-1-12(2-4-13)11-24-7-5-14(6-8-24)25-18-10-16(22)15(21)9-17(18)23-19(25)26/h1-4,9-10,14H,5-8,11H2,(H,23,26)

InChIKey

LAGUDYUGRSQDKS-UHFFFAOYSA-N

LogP

5.126900000000003

pKa

10.03±0.30(Predicted)

Topological Polar Surface Area

41.03 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Synonyms & References

English

  • SR17018
  • CS-2685
  • SR1 7018
  • SR-17018
  • 2H-Benzimidazol-2-one, 5,6-dichloro-1-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-1,3-dihydro-

MDL Number

MFCD31657392

FAQ

What are the physical and chemical properties of 5,6-Dichloro-1-[1-(4-chlorobenzyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one (CAS: 2134602-45-0)?

The compound 5,6-Dichloro-1-[1-(4-chlorobenzyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one is a white to off-white crystalline solid with a molecular weight of approximately 453.04 g/mol. It has limited solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound shows moderate reactivity, particularly towards nucleophiles and reducing agents. It decomposes above 200°C, and prolonged heating can result in the formation of chlorobenzene and other by-products.

How is 5,6-Dichloro-1-[1-(4-chlorobenzyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one (CAS: 2134602-45-0) typically synthesized?

5,6-Dichloro-1-[1-(4-chlorobenzyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one is synthesized via a multi-step process involving the reaction of 4-chlorobenzyl chloride with 4-piperidone and subsequent benzimidazolization. The synthesis requires careful control of reaction conditions and the use of appropriate catalysts and solvents. The overall yield is moderate, around 50-60%, and the process involves several purification steps to obtain the desired compound.

What industries use 5,6-Dichloro-1-[1-(4-chlorobenzyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one (CAS: 2134602-45-0)?

5,6-Dichloro-1-[1-(4-chlorobenzyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one is primarily used in the pharmaceutical industry for its biological activity. It has shown potential as an antiparasitic and antiviral agent. The compound is also of interest in the sensor industry due to its chemical reactivity and sensitivity to various analytes. Additionally, it may have applications in the development of new materials for electronic and optoelectronic devices.

What precautions should be taken when handling 5,6-Dichloro-1-[1-(4-chlorobenzyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one (CAS: 2134602-45-0)?

When handling 5,6-Dichloro-1-[1-(4-chlorobenzyl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up immediately using appropriate absorbent materials. In case of skin contact or inhalation, seek medical attention and refer to the Safety Data Sheet (SDS) for detailed emergency procedures. The compound is corrosive and potentially toxic, so proper disposal methods must be followed.

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