(3aS,12bR)-11-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one -Drug Synthesis Database

【结构式】

【分子编号】10418

【品名】(3aS,12bR)-11-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

【CA登记号】

【分子式】C₁₇H₁₄ClNO₂

【分子量】299.7564

【元素组成】C 68.12% H 4.71% Cl 11.83% N 4.67% O 10.67%

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：(IV)

2) [3a-3H]-Org-5222: The equilibration of cis-11-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino[ 4,5-c]pyrrol-1-one (IV) with [3H]-H2O by means of NaOCH3 in hot HMPT gives the tritiated trans-amide (V) (along with the cis-isomer, which is separated by HPLC). The trans-amide (V) is then reduced with LiAlH4/AlCl3 in ethyl ether.

参考文献中间体

合成目标

【1】 Wagenaars, G.; Vader, J.; Sperling, E.; Terpstra, A.; Kaspersen, F.; Hilberink, P.; Schlachter, I.; The syntheses of radiolabelled Org 5222 and its main metabolite Org 30526. J Label Compd Radiopharm 1994, 34, 9, 845.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(IV)	10418	(3aS,12bR)-11-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one		C₁₇H₁₄ClNO₂	详情	详情
(V)	63013	(3aS,12bR)-11-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one		C₁₇H₁₄ClNO₂	详情	详情

Extended Information