Oxalic Acid → Anastrozole oxalate

HRID 2089265ノート

反応式

HRID 2089265 の反応式
[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]

参加物

4

反応物 2

HCID 971Oxalic AcidHCID 2187Anastrozole

生成物 1

HCID 86661397Anastrozole oxalate

試薬・触媒・溶媒 1

HCID 21959252Acetonitrile methanol溶媒

実験手順

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)

出典と根拠

ORDレコード
ord-9051883396f34cb8be6504cbfaac79f3
出典データセット
uspto-grants-2013_05
特許番号
US08436029B2

反応ノート

読み込み中…