2-({3-[[2-(acetyloxy)ethyl](2-chloroacetyl)amino]-5-[({2,3-bis[(2-chloroacetyl)oxy]propyl}amino)carbonyl]-2,4,6-triiodobenzoyl}amino)-1-{[(2-chloroacetyl)oxy]methyl}ethyl 2-chloroacetate -Drug Synthesis Database

【结构式】

【分子编号】59330

【品名】2-({3-[[2-(acetyloxy)ethyl](2-chloroacetyl)amino]-5-[({2,3-bis[(2-chloroacetyl)oxy]propyl}amino)carbonyl]-2,4,6-triiodobenzoyl}amino)-1-{[(2-chloroacetyl)oxy]methyl}ethyl 2-chloroacetate

【CA登记号】

【分子式】C₂₈H₂₉Cl₅I₃N₃O₁₃

【分子量】1173.52759

【元素组成】C 28.66% H 2.49% Cl 15.11% I 32.44% N 3.58% O 17.72%

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)

Similarly, the tetrahydroxy amine (I) is acylated by chloroacetyl chloride (II) to produce the tetraester amide (III). After amide alkylation with bromoethyl acetate (IV), the resultant penta-ester (V) is hydrolyzed to the title compound using aqueous sulfuric acid.

参考文献中间体

合成目标

【1】 McCarthy, W.Z.; Kneller, M.T.; Lin, Y.; White, D.H. (Mallinckrodt Medical Inc.); Synthesis of ioversol using chloroacetyl chloride. WO 9301840 .

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)	59316	5-amino-N~1~,N~3~-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide		C₁₄H₁₈I₃N₃O₆	详情	详情
(II)	11296	2-Chloroacetyl chloride; Chloroacetic chloride	79-04-9	C₂H₂Cl₂O	详情	详情
(III)	59326	2-({3-[({2,3-bis[(2-chloroacetyl)oxy]propyl}amino)carbonyl]-5-[(2-chloroacetyl)amino]-2,4,6-triiodobenzoyl}amino)-1-{[(2-chloroacetyl)oxy]methyl}ethyl 2-chloroacetate		C₂₄H₂₃Cl₅I₃N₃O₁₁	详情	详情
(IV)	33463	2-bromoethyl acetate	927-68-4	C₄H₇BrO₂	详情	详情
(V)	59330	2-({3-[[2-(acetyloxy)ethyl](2-chloroacetyl)amino]-5-[({2,3-bis[(2-chloroacetyl)oxy]propyl}amino)carbonyl]-2,4,6-triiodobenzoyl}amino)-1-{[(2-chloroacetyl)oxy]methyl}ethyl 2-chloroacetate		C₂₈H₂₉Cl₅I₃N₃O₁₃	详情	详情

Extended Information