2-[[2,3-bis(acetyloxy)benzoyl](4-{[2,3-bis(acetyloxy)benzoyl]amino}butyl)amino]acetic acid -Drug Synthesis Database

【结构式】

【分子编号】58507

【品名】2-[[2,3-bis(acetyloxy)benzoyl](4-{[2,3-bis(acetyloxy)benzoyl]amino}butyl)amino]acetic acid

【CA登记号】

【分子式】C₂₈H₃₀N₂O₁₂

【分子量】586.55248

【元素组成】C 57.34% H 5.16% N 4.78% O 32.73%

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：(V)

Reductive condensation of 1,4-butanediamine (I) with glyoxylic acid (II) affords 3,8-diazaoctanoic acid (III). Subsequent acylation of diamino acid (III) with 2,3-diacetoxybenzoyl chloride (IV) provides diamide (V). After activation of (V) as the corresponding mixed anhydride with either methyl or isobutyl chloroformate, condensation with ampicillin (VI) yields the title compound.

参考文献中间体

合成目标

【1】 RF-2691A. Drug Data Rep 1995, 17, 9, 867.
【2】 Berg, A.; Heinisch, L.; Mollmann, U.; Wittmann, S.; Scherlitz-Hofmann, I.; Stoiber, T. (Grunenthal GmbH); Catecholate beta-lactam conjugates, method for producing the same and the use thereof. DE 10111160; WO 0270016 .

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)	42070	1,4-butanediamine; 4-aminobutylamine	110-60-1	C₄H₁₂N₂	详情	详情
(II)	15618	2-Oxoacetic acid; Glyoxylic Acid	298-12-4	C₂H₂O₃	详情	详情
(III)	58505	2-[(4-aminobutyl)amino]acetic acid		C₆H₁₄N₂O₂	详情	详情
(IV)	58506	2-(acetyloxy)-3-(chlorocarbonyl)phenyl acetate		C₁₁H₉ClO₅	详情	详情
(V)	58507	2-[[2,3-bis(acetyloxy)benzoyl](4-{[2,3-bis(acetyloxy)benzoyl]amino}butyl)amino]acetic acid		C₂₈H₃₀N₂O₁₂	详情	详情
(VI)	31107	(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylethanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid	69-53-4	C₁₆H₁₉N₃O₄S	详情	详情

Extended Information