01
反应 #4058546
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
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-c2bb3b693cfa415d9715dd4dcf2324562D 化学结构数据库编号 67330612
暂无可渲染的结构数据
SMILES
CC(C)(C)OC(=O)NCCCC(=O)C1=CC(=CC=C1)F——
结构数据已核验 · 数据库编号 67330612
中间体产品
tert-butyl N-[4-(3-fluorophenyl)-4-oxobutyl]carbamate
tert-butyl N-[4-(3-fluorophenyl)-4-oxobutyl]carbamate
CAS 1223405-24-0Product ID 94712
✓
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 | tert-butyl N-[4-(3-fluorophenyl)-4-oxobutyl]carbamate |
|---|---|
| English name | tert-butyl N-[4-(3-fluorophenyl)-4-oxobutyl]carbamate |
| IUPAC 名称 | — |
| CAS号 | 1223405-24-0 |
| 数据库编号 | 67330612 |
| 分子式 | — |
| 分子量 | — |
产品信息
tert-butyl N-[4-(3-fluorophenyl)-4-oxobutyl]carbamate
tert-butyl N-[4-(3-fluorophenyl)-4-oxobutyl]carbamate（CAS 1223405-24-0）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1223405-24-0
数据库编号67330612
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 67330612
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
- CC(C)(C)OC(=O)NCCCC(=O)C1=CC(=CC=C1)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
10 条反应 · 10 篇文献
02
反应 #2968692
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:10.6084/m9.figshare.5104873.v1; patent:US08865698B2
反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: In a round-bottomed flask was charged tert-butyl 2-oxopyrrolidine-1-carboxylate (2.2 g, 11.9 mmol) and THF (25 mL). The mixture was cooled down to −78° C. first, followed by slow addition of (3-fluorophenyl)magnesium bromide (17.8 mL, 17.8 mmol, 1.0 M solution in THF) over 15 minutes. The mixture was stirred for 3 hours, during which time the bath temperature rose from −78° C. to −10° C. The reaction was quenched by drop-wise addition of 1N HCl (2 mL) and warmed up to ambient temperature, followed by addition of EtOAc and water. After separating the organic layer, the aqueous layer was extracted with EtOAc three times. The combined organic layers was dried over Na2SO4 and concentrated to yield the product as a clear oil. rose from −78° C. to −10° C The reaction was quenched by drop-wise addition of 1N HCl (2 mL) warmed up to ambient temperature followed by addition of EtOAc and water After separating the organic layer the aqueous layer was extracted with EtOAc three times The combined organic layers was dried over Na2SO4 concentrated
来源 ID: ord-274f67140ff64dffb426ac3f96e73c7b03
反应 #2968691
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:10.6084/m9.figshare.5104873.v1; patent:US08865698B2
反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: In a round-bottomed flask was charged tert-butyl 2-oxopyrrolidine-1-carboxylate (2.2 g, 11.9 mmol) and THF (25 mL). The mixture was cooled down to −78° C. first, followed by slow addition of (3-fluorophenyl)magnesium bromide (17.8 mL, 17.8 mmol, 1.0 M solution in THF) over 15 minutes. The mixture was stirred for 3 hours, during which time the bath temperature rose from −78° C. to −10° C. The reaction was quenched by drop-wise addition of 1N HCl (2 mL) and warmed up to ambient temperature, followed by addition of EtOAc and water. After separating the organic layer, the aqueous layer was extracted with EtOAc three times. The combined organic layers was dried over Na2SO4 and concentrated to yield the product as a clear oil. rose from −78° C. to −10° C The reaction was quenched by drop-wise addition of 1N HCl (2 mL) warmed up to ambient temperature followed by addition of EtOAc and water After separating the organic layer the aqueous layer was extracted with EtOAc three times The combined organic layers was dried over Na2SO4 concentrated
来源 ID: ord-274f67140ff64dffb426ac3f96e73c7b04
反应 #2579891
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:10.6084/m9.figshare.5104873.v1; patent:US09447104B2
反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: In a round-bottomed flask was charged tert-butyl 2-oxopyrrolidine-1-carboxylate (2.2 g, 11.9 mmol) and THF (25 mL). The mixture was cooled down to −78° C. first, followed by slow addition of (3-fluorophenyl)magnesium bromide (17.8 mL, 17.8 mmol, 1.0 M solution in THF) over 15 minutes. The mixture was stirred for 3 hours, during which time the bath temperature rose from −78° C. to −10° C. The reaction was quenched by drop-wise addition of 1N HCl (2 mL) and warmed up to ambient temperature, followed by addition of EtOAc and water. After separating the organic layer, the aqueous layer was extracted with EtOAc three times. The combined organic layers was dried over Na2SO4 and concentrated to yield the product as a clear oil. rose from −78° C. to −10° C The reaction was quenched by drop-wise addition of 1N HCl (2 mL) warmed up to ambient temperature followed by addition of EtOAc and water After separating the organic layer the aqueous layer was extracted with EtOAc three times The combined organic layers was dried over Na2SO4 concentrated
来源 ID: ord-0e0d6802bbec4410b6ba92c729e66ce805
反应 #2426959
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
+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-c2bb3b693cfa415d9715dd4dcf23245606
反应 #2367333
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:10.6084/m9.figshare.5104873.v1; patent:US09447104B2
反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: In a round-bottomed flask was charged tert-butyl 2-oxopyrrolidine-1-carboxylate (2.2 g, 11.9 mmol) and THF (25 mL). The mixture was cooled down to −78° C. first, followed by slow addition of (3-fluorophenyl)magnesium bromide (17.8 mL, 17.8 mmol, 1.0 M solution in THF) over 15 minutes. The mixture was stirred for 3 hours, during which time the bath temperature rose from −78° C. to −10° C. The reaction was quenched by drop-wise addition of 1N HCl (2 mL) and warmed up to ambient temperature, followed by addition of EtOAc and water. After separating the organic layer, the aqueous layer was extracted with EtOAc three times. The combined organic layers was dried over Na2SO4 and concentrated to yield the product as a clear oil. rose from −78° C. to −10° C The reaction was quenched by drop-wise addition of 1N HCl (2 mL) warmed up to ambient temperature followed by addition of EtOAc and water After separating the organic layer the aqueous layer was extracted with EtOAc three times The combined organic layers was dried over Na2SO4 concentrated
来源 ID: ord-0e0d6802bbec4410b6ba92c729e66ce807
反应 #2042610
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:10.6084/m9.figshare.5104873.v1; patent:US09127013B2
反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: In a round-bottomed flask was charged tert-butyl 2-oxopyrrolidine-1-carboxylate (2.2 g, 11.9 mmol) and THF (25 mL). The mixture was cooled down to −78° C. first, followed by slow addition of (3-fluorophenyl)magnesium bromide (17.8 mL, 17.8 mmol, 1.0 M solution in THF) over 15 minutes. The mixture was stirred for 3 hours, during which time the bath temperature rose from −78° C. to −10° C. The reaction was quenched by drop-wise addition of 1N HCl (2 mL) and warmed up to ambient temperature, followed by addition of EtOAc and water. After separating the organic layer, the aqueous layer was extracted with EtOAc three times. The combined organic layers was dried over Na2SO4 and concentrated to yield the product as a clear oil. rose from −78° C. to −10° C The reaction was quenched by drop-wise addition of 1N HCl (2 mL) warmed up to ambient temperature followed by addition of EtOAc and water After separating the organic layer the aqueous layer was extracted with EtOAc three times The combined organic layers was dried over Na2SO4 concentrated
来源 ID: ord-77a50d4f3c10483a9e22609fae4a53ca08
反应 #1662165
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:10.6084/m9.figshare.5104873.v1; patent:US08513263B2
反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: In a round-bottomed flask was charged tert-butyl 2-oxopyrrolidine-1-carboxylate (2.2 g, 11.9 mmol) and THF (25 mL). The mixture was cooled down to −78° C. first, followed by slow addition of (3-fluorophenyl)magnesium bromide (17.8 mL, 17.8 mmol, 1.0 M solution in THF) over 15 minutes. The mixture was stirred for 3 hours, during which time the bath temperature rose from −78° C. to −10° C. The reaction was quenched by drop-wise addition of 1N HCl (2 mL) and warmed up to ambient temperature, followed by addition of EtOAc and water. After separating the organic layer, the aqueous layer was extracted with EtOAc three times. The combined organic layers was dried over Na2SO4 and concentrated to yield the product as a clear oil. rose from −78° C. to −10° C The reaction was quenched by drop-wise addition of 1N HCl (2 mL) warmed up to ambient temperature followed by addition of EtOAc and water After separating the organic layer the aqueous layer was extracted with EtOAc three times The combined organic layers was dried over Na2SO4 concentrated
来源 ID: ord-60fe492f43d248fbb509432194bb4e5409
反应 #498959
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:10.6084/m9.figshare.5104873.v1; patent:US08865698B2
反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: In a round-bottomed flask was charged tert-butyl 2-oxopyrrolidine-1-carboxylate (2.2 g, 11.9 mmol) and THF (25 mL). The mixture was cooled down to −78° C. first, followed by slow addition of (3-fluorophenyl)magnesium bromide (17.8 mL, 17.8 mmol, 1.0 M solution in THF) over 15 minutes. The mixture was stirred for 3 hours, during which time the bath temperature rose from −78° C. to −10° C. The reaction was quenched by drop-wise addition of 1N HCl (2 mL) and warmed up to ambient temperature, followed by addition of EtOAc and water. After separating the organic layer, the aqueous layer was extracted with EtOAc three times. The combined organic layers was dried over Na2SO4 and concentrated to yield the product as a clear oil. rose from −78° C. to −10° C The reaction was quenched by drop-wise addition of 1N HCl (2 mL) warmed up to ambient temperature followed by addition of EtOAc and water After separating the organic layer the aqueous layer was extracted with EtOAc three times The combined organic layers was dried over Na2SO4 concentrated
来源 ID: ord-274f67140ff64dffb426ac3f96e73c7b10
反应 #121086
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:10.6084/m9.figshare.5104873.v1; patent:US09447104B2
反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: In a round-bottomed flask was charged tert-butyl 2-oxopyrrolidine-1-carboxylate (2.2 g, 11.9 mmol) and THF (25 mL). The mixture was cooled down to −78° C. first, followed by slow addition of (3-fluorophenyl)magnesium bromide (17.8 mL, 17.8 mmol, 1.0 M solution in THF) over 15 minutes. The mixture was stirred for 3 hours, during which time the bath temperature rose from −78° C. to −10° C. The reaction was quenched by drop-wise addition of 1N HCl (2 mL) and warmed up to ambient temperature, followed by addition of EtOAc and water. After separating the organic layer, the aqueous layer was extracted with EtOAc three times. The combined organic layers was dried over Na2SO4 and concentrated to yield the product as a clear oil. rose from −78° C. to −10° C The reaction was quenched by drop-wise addition of 1N HCl (2 mL) warmed up to ambient temperature followed by addition of EtOAc and water After separating the organic layer the aqueous layer was extracted with EtOAc three times The combined organic layers was dried over Na2SO4 concentrated
来源 ID: ord-0e0d6802bbec4410b6ba92c729e66ce8PubChem References
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CAS 1223405-24-0tert-butyl N-[4-(3-fluorophenyl)-4-oxobutyl]carbamate
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