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3-Cyclopropylmethoxy-4-difluoromethoxybenzoic Acid-[d4]

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General Information
Catalog: BLP-006400
CAS: 1794816-96-8
Molecular Formula: C12H8D4F2O4
Molecular Weight: 262.24

Chemical Structure

Description	3-Cyclopropylmethoxy-4-difluoromethoxybenzoic Acid-[d4] is the labelled analogue of 3-Cyclopropylmethoxy-4-difluoromethoxybenzoic Acid, which is an impurity and intermediate in the preparation of Roflumilast.
Synonyms	3-Cyclopropylmethoxy-4-difluoromethoxybenzoic-d4 Acid; Roflumilast intermediate B-d4
IUPAC Name	4-(difluoromethoxy)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]benzoic acid
Related CAS	162401-62-9 (unlabelled)
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)/i1D2,2D2
InChI Key	IGFDIFLMMLWKKY-LNLMKGTHSA-N
Purity	≥98%
Solubility	Soluble in Dichloromethane, Methanol
Appearance	Off-white Solid
Storage	Store at 2-8°C