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【结 构 式】 
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【分子编号】66642 【品名】3-bromo-4-(4-(methylthio)phenyl)furan-2(5H)-one 【CA登记号】 |
【 分 子 式 】C11H9BrO2S 【 分 子 量 】285.161 【元素组成】C 46.33% H 3.18% Br 28.02% O 11.22% S 11.24% |
与该中间体有关的原料药合成路线共 3 条
合成路线1
该中间体在本合成路线中的序号：(III)
| 【1】 Majo VJ, Prabhakaran J, Simpson NR, et al. 2005. A general method for the synthesis of aryl[11C] methylsulfone; potential PET probes for imaging cycloox3vgenase-2 expression. Baoorg Med Chem Lett,15: 4268～4271 |
| 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) | 18561 | 4-(methylsulfanyl)phenylboronic acid | 98546-51-1 | C7H9BO2S | 详情 | 详情 |
| (II) | 66641 | 3,4-dibromofuran-2(5H)-one | 149418-41-7 | C4H2Br2O2 | 详情 | 详情 |
| (III) | 66642 | 3-bromo-4-(4-(methylthio)phenyl)furan-2(5H)-one | C11H9BrO2S | 详情 | 详情 | |
| (IV) | 19260 | 4-[4-(methylsulfanyl)phenyl]-3-phenyl-2(5H)-furanone | C17H14O2S | 详情 | 详情 | |
| (V) | 66643 | 4-(4-(methylsulfinyl)phenyl)-3-phenylfuran-2(5H)-one | C17H14O3S | 详情 | 详情 | |
| (VI) | 66644 | (4-(5-oxo-4-phenyl-2,5-dihydrofuran-3-yl)phenyl) butanethioate | C20H18O3S | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(IV)
| 【1】 Zhang J, Blazecka PG, Belmont D, et al. 2002. Reinvestigation of mucohalic acids, versatile and useful building blocks for highly functionalized, β-unsaturated, -butyrolactones. Org Lett,41 4559～4561（本论文作者来自于Global Research & Development, Ann Arbor lAboratories, Chemical Research and Development, Pfizer, Inc) |
| 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) | 66608 | 3,4-dibromo-5-hydroxyfuran-2(5H)-one | 766-38-1 | C4H2Br2O3 | 详情 | 详情 |
| (II) | 66641 | 3,4-dibromofuran-2(5H)-one | 149418-41-7 | C4H2Br2O2 | 详情 | 详情 |
| (III) | 18561 | 4-(methylsulfanyl)phenylboronic acid | 98546-51-1 | C7H9BO2S | 详情 | 详情 |
| (IV) | 66642 | 3-bromo-4-(4-(methylthio)phenyl)furan-2(5H)-one | C11H9BrO2S | 详情 | 详情 | |
| (V) | 16593 | Phenylboronic acid；Benzeneboronic acid;Phenylboron dihydroxide | 98-80-6 | C6H7BO2 | 详情 | 详情 |
| (VI) | 19260 | 4-[4-(methylsulfanyl)phenyl]-3-phenyl-2(5H)-furanone | C17H14O2S | 详情 | 详情 |
合成路线3
该中间体在本合成路线中的序号：(IV)
| 【1】 Rossi R, Bellina F, Raugei E. 2000. Selective synthesis of unsymmetrical 3,4-disubstituted and 4-substituted 2(5H)-furanones. Synlett, (12): 1749～1752. |
| 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) | 66608 | 3,4-dibromo-5-hydroxyfuran-2(5H)-one | 766-38-1 | C4H2Br2O3 | 详情 | 详情 |
| (II) | 66641 | 3,4-dibromofuran-2(5H)-one | 149418-41-7 | C4H2Br2O2 | 详情 | 详情 |
| (III) | 66651 | 3-bromo-4-(4-(methylthio)phenyl)furan-2(5H)-one | C8H10SSn | 详情 | 详情 | |
| (IV) | 66642 | 3-bromo-4-(4-(methylthio)phenyl)furan-2(5H)-one | C11H9BrO2S | 详情 | 详情 | |
| (V) | 19260 | 4-[4-(methylsulfanyl)phenyl]-3-phenyl-2(5H)-furanone | C17H14O2S | 详情 | 详情 |
Extended Information