4-[(3-hydroxypropyl)oxy]-3-(phenylsulfonyl)-1,2,5-oxadiazol-2-ium-2-olate -Drug Synthesis Database

【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.

参考文献中间体

合成目标

【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