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【结 构 式】 
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【分子编号】46452 【品名】3-bromo-N,N,N-triethyl-1-propanaminium bromide 【CA登记号】 |
【 分 子 式 】C9H21Br2N 【 分 子 量 】303.08048 【元素组成】C 35.67% H 6.98% Br 52.73% N 4.62% |
合成路线1
该中间体在本合成路线中的序号：(VIII)Treatment of N,N'-bis(2-hydroxyethyl)ethylenediamine (I) with p-toluenesulfonyl chloride in pyridine afforded the tretratosyl derivative (II). The disodium salt (IV) prepared from tritosyl diethylenetriamine (III) was then condensed with (II) in hot DMF to produce the macrocyclic compound (V). Cleavage of the N-tosyl groups of (V) to afford (VI) was effected by treatment with H2SO4 at 110 C. Quaternization of triethylamine with 1,3-dibromopropane (VII) gave rise to ammonium salt (VIII). Macrocycle (VI) was then alkylated with bromide (VIII) to furnish (IX). Then, complexation of (IX) with 99TcO2 was carried out by treatment with radiolabeled sodium pertechnetate in the presence of SnCl2.
| 【1】 Nicolas, C.; et al.; Synthesis of N-quaternary ammonium [3H] and [99mTc]polyazamacrocycles, potential radiotracers for cartilage imaging. J Label Compd Radiopharm 2000, 43, 6, 585. |
| 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) | 38377 | 2-([2-[(2-hydroxyethyl)amino]ethyl]amino)-1-ethanol | 4439-20-7 | C6H16N2O2 | 详情 | 详情 |
| (II) | 46447 | 2-([(4-methylphenyl)sulfonyl][2-[[(4-methylphenyl)sulfonyl](2-[[(4-methylphenyl)sulfonyl]oxy]ethyl)amino]ethyl]amino)ethyl 4-methylbenzenesulfonate | C34H40N2O10S4 | 详情 | 详情 | |
| (III) | 46448 | 4-methyl-N-[2-[[(4-methylphenyl)sulfonyl](2-[[(4-methylphenyl)sulfonyl]amino]ethyl)amino]ethyl]benzenesulfonamide | C25H31N3O6S3 | 详情 | 详情 | |
| (IV) | 46449 | C25H29N3Na2O6S3 | 详情 | 详情 | ||
| (V) | 46450 | 1,4,7,10,13-pentakis[(4-methylphenyl)sulfonyl]-1,4,7,10,13-pentaazacyclopentadecane | C45H55N5O10S5 | 详情 | 详情 | |
| (VI) | 46451 | 1,4,7,10,13-pentaazacyclopentadecane | C10H25N5 | 详情 | 详情 | |
| (VII) | 12581 | 1,3-Dibromopropane | 109-64-8 | C3H6Br2 | 详情 | 详情 |
| (VIII) | 46452 | 3-bromo-N,N,N-triethyl-1-propanaminium bromide | C9H21Br2N | 详情 | 详情 | |
| (IX) | 46453 | N,N,N-triethyl-3-(1,4,7,10,13-pentaazacyclopentadecan-1-yl)-1-propanaminium bromide | C19H45BrN6 | 详情 | 详情 |