ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylpropanoate -Drug Synthesis Database

【结构式】

【分子编号】34298

【品名】ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylpropanoate

【CA登记号】

【分子式】C₂₀H₂₁NO₃S₂

【分子量】387.52368

【元素组成】C 61.99% H 5.46% N 3.61% O 12.39% S 16.55%

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)

This compound can be obtained by two different ways: 1) The condensation of 2-mercapto-6-ethoxybenzothiazole (I) with 2-bromo-2-phenylpropionate (II) by means of sodium ethoxide in refluxing ethanol gives 2-phenyl-2-[(6-ethoxy-2-benzothiazoyl)thio]propionate (III), which is then hydrolyzed with KOH in ethanol. 2) By condensation of 2-chloro-6-ethoxybenzothiazole (IV) with 2-mercapto-2-phenylpropionic acid (V) by means of NaOH in refluxing butanol.

参考文献中间体

合成目标

【1】 Doll, T.; Scacht, E.; Radunz, H.E.; Schulze, E.; Benzothiazole derivatives and pharmaceutical formulations containing them. DE 2950095; EP 0030632; ES 8203867; JP 56092881; US 4294839 .
【2】 Serradell, M.N.; Castaner, J.; Tazasubrate. Drugs Fut 1984, 9, 9, 667.

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)	34296	6-ethoxy-1,3-benzothiazol-2-ylhydrosulfide; 6-ethoxy-1,3-benzothiazole-2-thiol	120-53-6	C₉H₉NOS₂	详情	详情
(II)	34297	ethyl 2-bromo-2-phenylpropanoate		C₁₁H₁₃BrO₂	详情	详情
(III)	34298	ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylpropanoate		C₂₀H₂₁NO₃S₂	详情	详情
(IV)	34299	2-chloro-6-ethoxy-1,3-benzothiazole; 2-chloro-1,3-benzothiazol-6-yl ethyl ether		C₉H₈ClNOS	详情	详情
(V)	34300	2-phenyl-2-sulfanylpropionic acid		C₉H₁₀O₂S	详情	详情

Extended Information