Cas no 887584-98-7 (3,4-Difluoro-5-methoxybenzoic acid)

3,4-Difluoro-5-methoxybenzoic acid structure
887584-98-7 structure
Product Name:3,4-Difluoro-5-methoxybenzoic acid
CAS No:887584-98-7
MF:C8H6F2O3
MW:188.128249645233
MDL:MFCD04972453
CID:1089916
Update Time:2024-03-01

3,4-Difluoro-5-methoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3,4-Difluoro-5-methoxybenzoic acid
    • 3,4-Difluoro-5-methoxybenzoic acid (ACI)
    • MDL: MFCD04972453
    • Inchi: 1S/C8H6F2O3/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3H,1H3,(H,11,12)
    • InChI Key: ABWUPGYAHCQXHK-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(OC)C(F)=C(F)C=1)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2

3,4-Difluoro-5-methoxybenzoic acid Pricemore >>

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3,4-Difluoro-5-methoxybenzoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Magnesium ,  Iodine Solvents: Diethyl ether ;  2 h, reflux
1.2 Solvents: Tetrahydrofuran ;  1 h, 10 °C
1.3 Reagents: Hydrochloric acid Solvents: Water
Reference
Development of potential preclinical candidates with promising in vitro ADME profile for the inhibition of type 1 and type 2 17β-Hydroxysteroid dehydrogenases: Design, synthesis, and biological evaluation
Abdelsamie, Ahmed S. ; Salah, Mohamed; Siebenbuerger, Lorenz; Hamed, Mostafa M.; Boerger, Carsten; et al, European Journal of Medicinal Chemistry, 2019, 178, 93-107

3,4-Difluoro-5-methoxybenzoic acid Raw materials

3,4-Difluoro-5-methoxybenzoic acid Preparation Products

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