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【结 构 式】

【分子编号】43679

【品名】3-methoxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine; methyl 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-yl ether

【CA登记号】

【 分 子 式 】C7H10N2O2

【 分 子 量 】154.16868

【元素组成】C 54.54% H 6.54% N 18.17% O 20.76%

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)

The methylation of intermediate 3-hydroxy-4,5,6,7-tetrahydropyrido[4,3-d]oxazole-6-carboxylic acid methyl ester (I) (see intermediate (XI) in the synthesis of scheme 28607501a) with diazomethane gives the methoxy compound (II), which is decarboxylated with KOH to yield 3-methoxy-4,5,6,7-tetrahydropyrido[4,3-d]oxazole (III). The nitrosation of (III) with HNO2 affords 3-methoxy-6-nitroso-4,5,6,7-tetrahydropyrido[4,3-d]oxazole (IV), which is tritiated with 3H2O and TEA to afford the tritiated intermediate (V). Finally, this compound is desmethylated with HBr to provide the target compound.

1 Johansen, J.S.; Falch, E.; Krogsgaard-Larsen, P.; Deuterium labelling of the GABA agonists THIP, piperidine-4-sulphonic acid and the GABA uptake inhibitor THPO. J Label Compd Radiopharm 1982, 19, 689-702.
2 Christensen, V.; Krogsgaard-Larsen, P.; Falch, E.; Chemistry and pharmacology of the GABA agonists THIP (Gabodaxol) and isoguvacine. Drugs Fut 1984, 9, 8, 597.
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) 43677 methyl 3-hydroxy-4,7-dihydroisoxazolo[5,4-c]pyridine-6(5H)-carboxylate C8H10N2O4 详情 详情
(II) 43678 methyl 3-methoxy-4,7-dihydroisoxazolo[5,4-c]pyridine-6(5H)-carboxylate C9H12N2O4 详情 详情
(III) 43679 3-methoxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine; methyl 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-yl ether C7H10N2O2 详情 详情
(IV) 43680 methyl 6-nitroso-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-yl ether; 3-methoxy-6-nitroso-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine C7H9N3O3 详情 详情
(V) 43681   C7H9N3O3 详情 详情
Extended Information