Oxalic Acid → Anastrozole oxalate

HRID 2089265Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 2089265
[CH3:1][C:2]([C:6]1[CH:7]=[C:8]([CH2:17][N:18]2[N:22]=[CH:21][N:20]=[CH:19]2)[CH:9]=[C:10]([C:12]([C:15]#[N:16])([CH3:14])[CH3:13])[CH:11]=1)([C:4]#[N:5])[CH3:3].[C:23]([OH:28])(=[O:27])[C:24]([OH:26])=[O:25]>CO.C(#N)C>[CH3:3][C:2]([C:6]1[CH:7]=[C:8]([CH2:17][N:18]2[N:22]=[CH:21][N:20]=[CH:19]2)[CH:9]=[C:10]([C:12]([C:15]#[N:16])([CH3:13])[CH3:14])[CH:11]=1)([C:4]#[N:5])[CH3:1].[C:23]([O-:28])(=[O:27])[C:24]([O-:26])=[O:25]

Komponenten

4

Edukt 2

HCID 971Oxalic AcidHCID 2187Anastrozole

Produkt 1

HCID 86661397Anastrozole oxalate

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 21959252Acetonitrile methanolLösungsmittel

Versuchsvorschrift

Anastrozole (28.3 mg, 0.096 mmol) and oxalic acid (8.9 mg, 0.099 mmol) were dissolved in 1 mL methanol:acetonitrile (1:1 v/v) solution. Crystals of anastrozole oxalate were obtained from slow evaporation at room temperature in an ambient atmosphere. Crystals of anastrozole oxalate were also obtained via crystallization of anastrozole (38.3 mg, 0.131 mmol) and oxalic acid (10.7 mg, 0.119 mmol) in 1.5 mL methanol:ethyl acetate (1:0.5 v/v) solution. The crystalline form of anastrozole oxalate was characterized by single crystal x-ray diffraction and melting point. (See FIGS. 14 and 15)

Quellen und Nachweise

ORD-Eintrag
ord-9051883396f34cb8be6504cbfaac79f3
Quelldatensatz
uspto-grants-2013_05
Patentnummer
US08436029B2

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