3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid

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For Research Use Only.

Category

Impurities

Cat.No.

NP3337

CAS

162401-62-9

Product Name

3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid

Structure

Product Details

Description

3-Cyclopropylmethoxy-4-difluoromethoxybenzoic Acid is an impurity and intermediate in the preparation of Roflumilast. Roflumilast is a selective, long-acting inhibitor of the enzyme phosphodiesterase-4 (PDE-4).

Synonyms

Roflumilast intermediate B; Benzoic acid, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-

IUPAC Name

3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid

Molecular Weight

258.22

Molecular Formula

C12H12F2O4

Canonical SMILES

C1CC1COC2=C(C=CC(=C2)C(=O)O)OC(F)F

InChI

InChI=1S/C12H12F2O4/c13-12(14)18-9-4-3-8(11(15)16)5-10(9)17-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,15,16)

InChIKey

IGFDIFLMMLWKKY-UHFFFAOYSA-N

Boiling Point

356.4±37.0 °C (Predicted)

Melting Point

119-121 °C

Purity

98%

Density

1.355±0.06 g/cm3 (Predicted)

Solubility

Slightly soluble in DMSO, Methanol

Appearance

White Solid

Storage

2-8 °C

Form

Oil

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