01
反应 #4062285
反应式
暂无可渲染的结构数据
暂无可渲染的结构数据
暂无可渲染的结构数据
相关文献 (1)
openreactiondata ↗doi:10.1039/C8SC04228D
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-66ac39586a504b89bed1f74134ed1e1b2D 化学结构数据库编号 58204154
暂无可渲染的结构数据
SMILES
C=CS(=O)(=O)N1CC(C1)(F)F——
结构数据已核验 · 数据库编号 58204154
中间体产品
1-ethenylsulfonyl-3,3-difluoroazetidine
1-ethenylsulfonyl-3,3-difluoroazetidine
CAS 1282529-75-2Product ID 130836
✓
产品信息已核验
结构、标识符和计算性质已按 CAS 与数据库记录完成匹配。
| 中文名称 | 1-ethenylsulfonyl-3,3-difluoroazetidine |
|---|---|
| English name | 1-ethenylsulfonyl-3,3-difluoroazetidine |
| IUPAC 名称 | — |
| CAS号 | 1282529-75-2 |
| 数据库编号 | 58204154 |
| 分子式 | — |
| 分子量 | — |
产品信息
1-ethenylsulfonyl-3,3-difluoroazetidine
1-ethenylsulfonyl-3,3-difluoroazetidine（CAS 1282529-75-2）的产品身份、结构标识及相关反应资料，供化学中间体检索、研发和采购评估使用。
CAS号1282529-75-2
数据库编号58204154
分子式—
更新时间2023-01-08
可能的应用方向
可能的应用方向
仅供专业研发与工业用途
数据库编号 58204154
计算性质
精确质量—
XLogP—
拓扑极性表面积—
氢键供体数—
氢键受体数—
可旋转键数—
- IUPAC 名称
- —
- InChIKey
- —
- SMILES
- C=CS(=O)(=O)N1CC(C1)(F)F
- InChI
- —
安全提示
安全与说明
仅供专业研发与工业用途。操作前请依据供应商提供的安全数据表完成风险评估。
合成路线数据
相关反应
12 条反应 · 12 篇文献
02
反应 #3150722
反应式
暂无可渲染的结构数据
+暂无可渲染的结构数据
+暂无可渲染的结构数据
›
暂无可渲染的结构数据
相关文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US09175009B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: Following the procedure for 320, 8-azetidin-3-yl-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene TFA salt 235 and 1-ethenesulfonyl-3,3-difluoro-azetidine were reacted to give 454 isolated as a white solid (139 mg, 84%). LCMS: RT=8.30 min, [M+H]+=551. 1H NMR δ (ppm) (CDCl3): 8.32 (1H, d, J=8.18 Hz), 7.89 (1H, s), 7.08 (1H, dd, J=8.21, 1.87 Hz), 6.97 (1H, d, J=1.84 Hz), 5.93-5.83 (1H, m), 4.38 (2H, t, J=5.05 Hz), 4.31 (4H, t, J=12.10 Hz), 3.76 (2H, t, J=6.86 Hz), 3.75-3.63 (1H, m), 3.43-3.36 (2H, m), 3.23 (2H, t, J=6.61 Hz), 3.11 (2H, t, J=7.01 Hz), 2.92 (2H, t, J=7.00 Hz), 1.60 (6H, d, J=6.63 Hz) were reacted
来源 ID: ord-af46f08d71384b049600d39a94c1ea1003
反应 #3150218
反应式
暂无可渲染的结构数据
+暂无可渲染的结构数据
+暂无可渲染的结构数据
›
暂无可渲染的结构数据
相关文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US09175009B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: The title compound was prepared by a similar procedure to 8-(1-ethenesulfonyl-azetidin-3-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene using 3,3-difluoroazetidine hydrochloride salt. 1-Ethenesulfonyl-3,3-difluoro-azetidine was isolated as a light brown oil after flash chromatography (SiO2, DCM) (171 mg, 61%). 1H NMR δ (ppm) (CDCl3): 6.56 (1H, dd, J=16.56, 9.83 Hz), 6.40 (1H, d, J=16.59 Hz), 6.20 (1H, d, J=9.83 Hz), 4.32-4.17 (4H, m)
来源 ID: ord-eb91c88318d44eab93b82b8bbe39478b04
反应 #3150217
反应式
暂无可渲染的结构数据
+暂无可渲染的结构数据
+暂无可渲染的结构数据
›
暂无可渲染的结构数据
相关文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US09175009B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: The title compound was prepared by a similar procedure to 8-(1-ethenesulfonyl-azetidin-3-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene using 3,3-difluoroazetidine hydrochloride salt. 1-Ethenesulfonyl-3,3-difluoro-azetidine was isolated as a light brown oil after flash chromatography (SiO2, DCM) (171 mg, 61%). 1H NMR δ (ppm) (CDCl3): 6.56 (1H, dd, J=16.56, 9.83 Hz), 6.40 (1H, d, J=16.59 Hz), 6.20 (1H, d, J=9.83 Hz), 4.32-4.17 (4H, m)
来源 ID: ord-eb91c88318d44eab93b82b8bbe39478b05
反应 #2430698
反应式
暂无可渲染的结构数据
+暂无可渲染的结构数据
›
暂无可渲染的结构数据
相关文献 (1)
openreactiondata ↗doi:10.1039/C8SC04228D
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-66ac39586a504b89bed1f74134ed1e1b06
反应 #2160441
反应式
暂无可渲染的结构数据
+暂无可渲染的结构数据
+暂无可渲染的结构数据
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暂无可渲染的结构数据
相关文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US08263633B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: Following the procedure for 320, 8-azetidin-3-yl-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene TFA salt 235 and 1-ethenesulfonyl-3,3-difluoro-azetidine were reacted to give 454 isolated as a white solid (139 mg, 84%). LCMS: RT=8.30 min, [M+H]+=551. 1H NMR δ (ppm) (CDCl3): 8.32 (1 H, d, J=8.18 Hz), 7.89 (1 H, s), 7.08 (1 H, dd, J=8.21, 1.87 Hz), 6.97 (1 H, d, J=1.84 Hz), 5.93-5.83 (1 H, m), 4.38 (2 H, t, J=5.05 Hz), 4.31 (4 H, t, J=12.10 Hz), 3.76 (2 H, t, J=6.86 Hz), 3.75-3.63 (1 H, m), 3.43-3.36 (2 H, m), 3.23 (2 H, t, J=6.61 Hz), 3.11 (2H, t, J=7.01 Hz), 2.92 (2 H, t, J=7.00 Hz), 1.60 (6 H, d, J=6.63 Hz) were reacted
来源 ID: ord-782b5fab452545b3b395b1495dae743307
反应 #2160442
反应式
暂无可渲染的结构数据
+暂无可渲染的结构数据
+暂无可渲染的结构数据
›
暂无可渲染的结构数据
相关文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US08263633B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: Following the procedure for 320, 8-azetidin-3-yl-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene TFA salt 235 and 1-ethenesulfonyl-3,3-difluoro-azetidine were reacted to give 454 isolated as a white solid (139 mg, 84%). LCMS: RT=8.30 min, [M+H]+=551. 1H NMR δ (ppm) (CDCl3): 8.32 (1 H, d, J=8.18 Hz), 7.89 (1 H, s), 7.08 (1 H, dd, J=8.21, 1.87 Hz), 6.97 (1 H, d, J=1.84 Hz), 5.93-5.83 (1 H, m), 4.38 (2 H, t, J=5.05 Hz), 4.31 (4 H, t, J=12.10 Hz), 3.76 (2 H, t, J=6.86 Hz), 3.75-3.63 (1 H, m), 3.43-3.36 (2 H, m), 3.23 (2 H, t, J=6.61 Hz), 3.11 (2H, t, J=7.01 Hz), 2.92 (2 H, t, J=7.00 Hz), 1.60 (6 H, d, J=6.63 Hz) were reacted
来源 ID: ord-782b5fab452545b3b395b1495dae743308
反应 #2159879
反应式
暂无可渲染的结构数据
+暂无可渲染的结构数据
+暂无可渲染的结构数据
›
暂无可渲染的结构数据
相关文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US08263633B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: The title compound was prepared by a similar procedure to 8-(1-ethenesulfonyl-azetidin-3-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene using 3,3-difluoroazetidine hydrochloride salt. 1-Ethenesulfonyl-3,3-difluoro-azetidine was isolated as a light brown oil after flash chromatography (SiO2, DCM) (171 mg, 61%). 1H NMR δ (ppm) (CDCl3): 6.56 (1 H, dd, J=16.56, 9.83 Hz), 6.40 (1 H, d, J=16.59 Hz), 6.20 (1 H, d, J=9.83 Hz), 4.32-4.17 (4 H, m)
来源 ID: ord-e1ea245fec424f42a5ae4ee656a80b3c09
反应 #1612176
反应式
暂无可渲染的结构数据
+暂无可渲染的结构数据
+暂无可渲染的结构数据
›
暂无可渲染的结构数据
相关文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US08952043B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: Following the procedure for 320, 8-azetidin-3-yl-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene TFA salt 235 and 1-ethenesulfonyl-3,3-difluoro-azetidine were reacted to give 454 isolated as a white solid (139 mg, 84%). LCMS: RT=8.30 min, [M+H]+=551. 1H NMR δ (ppm) (CDCl3): 8.32 (1 H, d, J=8.18 Hz), 7.89 (1 H, s), 7.08 (1 H, dd, J=8.21, 1.87 Hz), 6.97 (1 H, d, J=1.84 Hz), 5.93-5.83 (1 H, m), 4.38 (2 H, t, J=5.05 Hz), 4.31 (4 H, t, J=12.10 Hz), 3.76 (2 H, t, J=6.86 Hz), 3.75-3.63 (1 H, m), 3.43-3.36 (2 H, m), 3.23 (2 H, t, J=6.61 Hz), 3.11 (2 H, t, J=7.01 Hz), 2.92 (2 H, t, J=7.00 Hz), 1.60 (6 H, d, J=6.63 Hz) were reacted
来源 ID: ord-74e2c42a34834edca2297dce22e8953210
反应 #1611769
反应式
暂无可渲染的结构数据
+暂无可渲染的结构数据
+暂无可渲染的结构数据
›
暂无可渲染的结构数据
相关文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US08952043B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: The title compound was prepared by a similar procedure to 8-(1-ethenesulfonyl-azetidin-3-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene using 3,3-difluoroazetidine hydrochloride salt. 1-Ethenesulfonyl-3,3-difluoro-azetidine was isolated as a light brown oil after flash chromatography (SiO2, DCM) (171 mg, 61%). 1H NMR δ (ppm) (CDCl3): 6.56 (1 H, dd, J=16.56, 9.83 Hz), 6.40 (1H, d, J=16.59 Hz), 6.20 (1 H, d, J=9.83 Hz), 4.32-4.17 (4 H, m)
来源 ID: ord-5777ad65b6b046c38d17562bd99331a911
反应 #1032692
反应式
暂无可渲染的结构数据
+暂无可渲染的结构数据
+暂无可渲染的结构数据
›
暂无可渲染的结构数据
相关文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US08673952B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: Following the procedure for 320, 8-azetidin-3-yl-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene TFA salt 235 and 1-ethenesulfonyl-3,3-difluoro-azetidine were reacted to give 454 isolated as a white solid (139 mg, 84%). LCMS: RT=8.30 min, [M+H]+=551. 1H NMR δ (ppm) (CDCl3): 8.32 (1H, d, J=8.18 Hz), 7.89 (1H, s), 7.08 (1H, dd, J=8.21, 1.87 Hz), 6.97 (1H, d, J=1.84 Hz), 5.93-5.83 (1H, m), 4.38 (2H, t, J=5.05 Hz), 4.31 (4H, t, J=12.10 Hz), 3.76 (2H, t, J=6.86 Hz), 3.75-3.63 (1H, m), 3.43-3.36 (2H, m), 3.23 (2H, t, J=6.61 Hz), 3.11 (2H, t, J=7.01 Hz), 2.92 (2H, t, J=7.00 Hz), 1.60 (6H, d, J=6.63 Hz) were reacted
来源 ID: ord-1b3d0b69cd8a492495880fb769b3cc4112
反应 #1032300
反应式
暂无可渲染的结构数据
+暂无可渲染的结构数据
+暂无可渲染的结构数据
›
暂无可渲染的结构数据
相关文献 (1)
openreactiondata ↗doi:10.6084/m9.figshare.5104873.v1; patent:US08673952B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: The title compound was prepared by a similar procedure to 8-(1-ethenesulfonyl-azetidin-3-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene using 3,3-difluoroazetidine hydrochloride salt. 1-Ethenesulfonyl-3,3-difluoro-azetidine was isolated as a light brown oil after flash chromatography (SiO2, DCM) (171 mg, 61%). 1H NMR δ (ppm) (CDCl3): 6.56 (1H, dd, J=16.56, 9.83 Hz), 6.40 (1H, d, J=16.59 Hz), 6.20 (1H, d, J=9.83 Hz), 4.32-4.17 (4H, m)
来源 ID: ord-52371b8c00334c5a8dd15b92b2ac3f63PubChem References
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CAS 1282529-75-21-ethenylsulfonyl-3,3-difluoroazetidine
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