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【结 构 式】

【分子编号】56840

【品名】3-[(3-{[(E)-2-(hydroxyimino)-1-methylpropylidene]amino}-2,2-dimethylpropyl)imino]-2-butanone oxime

【CA登记号】

【 分 子 式 】C13H24N4O2

【 分 子 量 】268.35932

【元素组成】C 58.18% H 9.01% N 20.88% O 11.92%

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)

Condensation of 2,3-butanedione monooxime (I) with 2,2,-dimethyl-1,3-propanediamine (II) affords the bis-imine adduct (III). Subsequent reduction of the imine functions of (III) using NaBH4 in EtOH gives rise to a mixture of the meso-diamine (IV) and the racemic d,l-isomers (V). Separation of this mixture is achieved by either HPLC or fractional crystallization from acetonitrile and then from ethyl acetate. The target 99mtechnetium complex is prepared in situ by reduction of a solution of 99mTc-pertechnetate with stannous tartrate in the presence of the diamino dioxime ligand (V).

1 Nowotnik, D.P.; et al.; Development of a 99Tcm-labelled radiopharmaceutical for cerebral blood flow imaging. Nucl Med Commun 1985, 6, 9, 499.
2 Nowotnik, D.P.; et al.; Separation of the stereoisomers of hexamethyl-propyleneamine oxime (HM-PAO) by high-performance liquid chromatography. J Liq Chromatogr 1995, 18, 4, 673.
3 Nowotnik, D.P.; Canning, L.R.; Neirinckx, R.D.; Piper, I.M. (Amersham plc); Complexes of technetium-99m with propylene amine oximes. EP 0194843; JP 1986225159; US 4789736 .
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) 55397 2,3-Butanedione 2-oxime; 2,3-Butanedione monoxime; 2,3-Butanedione oxime; 2,3-Butanedione-2-monoxime; Diacetyl monoxime 57-71-6 C4H7NO2 详情 详情
(II) 56839 1,3-Diamino-2,2-dimethylpropane; Neopentandiamine 7328-91-8 C5H14N2 详情 详情
(III) 56840 3-[(3-{[(E)-2-(hydroxyimino)-1-methylpropylidene]amino}-2,2-dimethylpropyl)imino]-2-butanone oxime C13H24N4O2 详情 详情
(IV) 56841 (3S)-3-[(3-{[(1R)-2-(hydroxyimino)-1-methylpropyl]amino}-2,2-dimethylpropyl)amino]-2-butanone oxime C13H28N4O2 详情 详情
(V) 56842 (3R)-3-[(3-{[(1R)-2-(hydroxyimino)-1-methylpropyl]amino}-2,2-dimethylpropyl)amino]-2-butanone oxime C13H28N4O2 详情 详情
Extended Information