【结 构 式】 |
【分子编号】26153 【品名】(3-aminophenyl)methanol 【CA登记号】1877-77-6 |
【 分 子 式 】C7H9NO 【 分 子 量 】123.1546 【元素组成】C 68.27% H 7.37% N 11.37% O 12.99% |
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:(I)Treatment of 3-aminobenzyl alcohol (I) with isopropyl isocyanate produced urea (II). Mesylation of alcohol (III), followed by reaction with LiBr gave benzyl bromide (III). Then, alkylation of 3-azidobenzazepine (IV) with (III) under phase-transfer conditions afforded (V). The azido group of (V) was reduced to amine (VI) by catalytic hydrogenation over Pd/C. Subsequent treatment of (VI) with carbonyl diimidazole produced isocyanate (VII). This was finally converted to the target compound by condensation with 6-aminobenzothiazole (VIII).
【1】 Hara, H.; Murakami, Y.; Okada, T.; et al.; 1,3-Disubstituted benzazepines as novel, potent, selective neuropeptide Y Y1 receptor antagonists. J Med Chem 1999, 42, 14, 2621. |
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) | 26153 | (3-aminophenyl)methanol | 1877-77-6 | C7H9NO | 详情 | 详情 |
(II) | 26154 | N-[3-(hydroxymethyl)phenyl]-N'-isopropylurea | C11H16N2O2 | 详情 | 详情 | |
(III) | 26155 | N-[3-(bromomethyl)phenyl]-N'-isopropylurea | C11H15BrN2O | 详情 | 详情 | |
(IV) | 20891 | 3-azido-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one | C10H10N4O | 详情 | 详情 | |
(V) | 26156 | N-[3-[(3-azido-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)methyl]phenyl]-N'-isopropylurea | C21H24N6O2 | 详情 | 详情 | |
(VI) | 26157 | N-[3-[(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)methyl]phenyl]-N'-isopropylurea | C21H26N4O2 | 详情 | 详情 | |
(VII) | 26158 | N-[3-[(3-isocyanato-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)methyl]phenyl]-N'-isopropylurea | C22H24N4O3 | 详情 | 详情 | |
(VIII) | 17908 | 1,3-benzothiazol-6-ylamine; 1,3-benzothiazol-6-amine; 6-Aminobenzothiazole | 533-30-2 | C7H6N2S | 详情 | 详情 |
Extended Information