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【结 构 式】

【分子编号】60031

【品名】trisodium 2-[4-[(5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetate

【CA登记号】

【 分 子 式 】C21H35N4Na3O9

【 分 子 量 】556.499764

【元素组成】C 45.32% H 6.34% N 10.07% Na 12.39% O 25.88%

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:(XI)

The macrocyclic tetraamine (I) was protected as the triaminomethane derivative (VIII) by treatment with either triethyl orthoformate (4) or with dimethylformamide dimethylacetal (5). Alkylation of (VIII) with bromoacetic acid gave rise to the N-formyl N',N'',N'''-tris(carboxymethyl) compound (IX). After basic hydrolysis of the formamide function of (IX), the resultant N-deprotected amine (X) was condensed with epoxide (II) to yield (XI). Further complexation with GdCl3 and ketal group hydrolysis led to the target compound

1 Murru, M.; Ripa, G.; Scala, A.; Viscardi, C.F.; Ausonio, M.; Scotti, C.; Cossuta, P. (Bracco SpA; Dibra SpA); A process for the preparation of macrocyclic chelants and the chelates thereof with paramagnetic metal ions. WO 9856775 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(A) 23660 2-Bromoacetic acid 79-08-3 C2H3BrO2 详情 详情
(I) 14855 1,4,7,10-tetraazacyclododecane; Cyclen 294-90-6 C8H20N4 详情 详情
(II) 60022 4,4-dimethyl-3,5,8-trioxabicyclo[5.1.0]octane C7H12O3 详情 详情
(VIII) 60028 octahydro-5H-2a,4a,7,9a-tetraazacycloocta[cd]pentalene C9H18N4 详情 详情
(IX) 60029 2-[4-formyl-7,10-bis(2-hydroxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid C15H26N4O7 详情 详情
(X) 60030 trisodium 2-[4,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetate C14H23N4Na3O6 详情 详情
(XI) 60031 trisodium 2-[4-[(5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetate C21H35N4Na3O9 详情 详情
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