4-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-3-(difluoromethoxy)benzamide | CAS No. 162401-43-6

4-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-3-(difluoromethoxy)benzamide

Basic Information

CAS Number

162401-43-6

Molecular Formula

C17H14Cl2F2N2O3

Molecular Weight

403.21 g/mol

AD

Basic Physical Properties

Clc3c(NC(=O)c2ccc(OCC1CC1)c(OC(F)F)c2)c(Cl)cnc3

InChI

InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(25-8-9-1-2-9)14(5-10)26-17(20)21/h3-7,9,17H,1-2,8H2,(H,22,23,24)

InChIKey

VXNCCFGMEHFNBA-UHFFFAOYSA-N

LogP

5.030900000000003

Topological Polar Surface Area

60.45 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Synonyms & References

English

  • RofluMilast related substance
  • 4-(Cyclopropylmethoxy)-3-(difluoromethoxy) Roflumilast
  • 4-(cyclopropylMethoxy)-N-(3,5-dichloropyridin-4-yl)-3-(difluoroMethoxy)benzaMide
  • 4-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-3-(difluoromethoxy)benzamide
  • KS-1190
  • N-(3,5-Dichloropyrid-4-yl)-4-cyclopropylmethoxy-3-difluoromethoxybenzamide
  • Roflumilast Impurity A
  • RofluMilast IMpurity 1
  • RofluMilast IMp.A isoMer
  • RofluMi last related substance A
  • 4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-3-(difluoromethoxy)benzamide

FAQ

What are the physical and chemical properties of 4-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-3-(difluoromethoxy)benzamide (CAS: 162401-43-6)?

4-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-3-(difluoromethoxy)benzamide is a crystalline solid with a molecular weight of approximately 454.16 g/mol. It is poorly soluble in water but soluble in common organic solvents like DMSO and DMF. The compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a dry environment to prevent hydrolysis.

How is 4-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-3-(difluoromethoxy)benzamide (CAS: 162401-43-6) typically synthesized?

4-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-3-(difluoromethoxy)benzamide is synthesized via a multi-step process involving the condensation of 3,5-dichloro-4-pyridinylamine with a difluoromethoxy substituted benzoyl chloride, followed by alkylation with cyclopropylmethyl bromide. The reaction is catalyzed by a combination of a Lewis acid and a base, with high selectivity and good yield.

What industries use 4-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-3-(difluoromethoxy)benzamide (CAS: 162401-43-6)?

4-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-3-(difluoromethoxy)benzamide is primarily used in the pharmaceutical industry for developing anti-inflammatory and antiparasitic drugs. It is also used in the polymer industry for enhancing the properties of certain polymer materials and in the electronics sector for sensor and semiconductor applications due to its electronic properties.

What precautions should be taken when handling 4-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-3-(difluoromethoxy)benzamide (CAS: 162401-43-6)?

When handling 4-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-3-(difluoromethoxy)benzamide, appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to prevent inhalation. In case of spills, it should be cleaned up immediately using an appropriate absorbent, and the area should be thoroughly washed. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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