ethyl 4-[(6-chloro-2-pyridinyl)sulfanyl]-1-piperidinecarboxylate -Drug Synthesis Database

【结构式】

【分子编号】20950

【品名】ethyl 4-[(6-chloro-2-pyridinyl)sulfanyl]-1-piperidinecarboxylate

【CA登记号】

【分子式】C₁₃H₁₇ClN₂O₂S

【分子量】300.80896

【元素组成】C 51.91% H 5.7% Cl 11.79% N 9.31% O 10.64% S 10.66%

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：(V)

2,6-Dichloropyridine (I) reacts with sodium hydrogen sulfide yielding 6-chloro-2-mercaptopyridine sodium salt (II). The thioether (III) is formed through reaction of 4-chloro-N-methylpiperidine with (II). Cleavage of the N-methyl group is achieved by condensation of (III) with ethyl chloroformate followed by acidic hydrolysis.

参考文献中间体

合成目标

【1】 Engel, J.; Jacovlev, V.; Nickel, B.; Scheffler, G.; Thiemer, K. (Degussa-Hüls AG); New pyridine-2-ethers and pyridine-2-thioethers having a nitrogen-containing cycloaliphatic ring. DE 3443968; EP 0149088; ES 8607014; GB 2152048; JP 1985169476; US 4643995 .
【2】 Szelenyi, I.; Engel, J.; Scheffler, G.; Nickel, B.; Thiemer, K.; Tibes, U.; Werner, U.; ANPIRTOLINE HYDROCHLORIDE < Rec INNM >. Drugs Fut 1989, 14, 7, 614.

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)	13573	2,6-Dichloropyridine	2402-78-0	C₅H₃Cl₂N	详情	详情
(II)	20947	6-Chloropyridine-2-thiol sodium salt		C₅H₃ClNNaS	详情	详情
(III)	20948	6-chloro-2-pyridinyl 1-methyl-4-piperidinyl sulfide; 4-[(6-chloro-2-pyridinyl)sulfanyl]-1-methylpiperidine		C₁₁H₁₅ClN₂S	详情	详情
(IV)	20949	4-Chloro-1-methylpiperidine; 4-Chloro-N-methylpiperidine; N-methyl-4-chloropiperidine	55770-77-4	C₆H₁₂ClN	详情	详情
(V)	20950	ethyl 4-[(6-chloro-2-pyridinyl)sulfanyl]-1-piperidinecarboxylate		C₁₃H₁₇ClN₂O₂S	详情	详情

Extended Information