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【结 构 式】

【分子编号】52495

【品名】4-[(3-hydroxypropyl)oxy]-3-(phenylsulfonyl)-1,2,5-oxadiazol-2-ium-2-olate

【CA登记号】

【 分 子 式 】C11H12N2O6S

【 分 子 量 】300.29216

【元素组成】C 44% H 4.03% N 9.33% O 31.97% S 10.68%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号:(III)

The furazanyloxypropanol derivative (III) was obtained by condensation of 3,4-bis(benzenesulfonyl)furoxan (I) with 1,3-propanediol (II) in the presence of NaOH. Subsequent acylation of alcohol (III) with ibuprofen acid chloride (IV) provided the corresponding ibuprofen ester.

1 Lolli, M.L.; et al.; A new class of ibuprofen derivatives with reduced gastrotoxicity. J Med Chem 2001, 44, 21, 3463.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 52494 3,4-bis(phenylsulfonyl)-1,2,5-oxadiazol-2-ium-2-olate C14H10N2O6S2 详情 详情
(II) 14685 1,3-propanediol; Trimethylene Glycol 504-63-2 C3H8O2 详情 详情
(III) 52495 4-[(3-hydroxypropyl)oxy]-3-(phenylsulfonyl)-1,2,5-oxadiazol-2-ium-2-olate C11H12N2O6S 详情 详情
(IV) 22117 2-(4-isobutylphenyl)propanoyl chloride C13H17ClO 详情 详情
Extended Information