01
反应 #3875093
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
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-b59000cb07684f819dbcd74b9b3627ac2D 化学结构数据库编号 53936336
暂无可渲染的结构数据
SMILES
BrC1C=CC=C(C=1)CC(=O)OC(C)(C)C——
产品信息
2-(3-溴苯基)乙酸叔丁酯
2-(3-溴苯基)乙酸叔丁酯（CAS 197792-52-2）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197792-52-2
数据库编号53936336
分子式—
更新时间2025-04-09
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 53936336
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
- BrC1C=CC=C(C=1)CC(=O)OC(C)(C)C
- 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 #3278748
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:10.6084/m9.figshare.5104873.v1; patent:US06998423B2
反应条件: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 3-bromo-phenyl acetic acid tert-butyl ester (5.64 g, 20.80 mmol), N-vinyl phthalimide (3.60 g, 20.80 mmol), diisopropylethylamine (3.63 g, 28.08 mmol), palladium acetate (107 mg, 0.478 mmol), and tri-o-tolylphosphine (475 mg, 1.56 mmol) in acetonitrile (10 mL) was stirred at 90° C. for 20 h. The reaction was cooled to room temperature and ice water (50 mL) was added. EtOAc (50 mL) was added and the organic solution was washed with 5.5% HCl followed by brine. The organic solution was dried over MgSO4, filtered, and concentrated. Purification by flash chromatography (hexanes:EtOAc 9:1 to 4:1) provided the title compound (1.95 g). MS 381 (M+18). The reaction was cooled to room temperature the organic solution was washed with 5.5% HCl The organic solution was dried over MgSO4 filtered concentrated Purification by flash chromatography (hexanes:EtOAc 9:1 to 4:1)
来源 ID: ord-a5cc08aa49c54c228d56be16cb867e2a03
反应 #3278747
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:US06998423B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 3-bromo-phenyl acetic acid (5.00 g, 23.24 mmol), tert-butanol (1.89 g, 25.57 mmol), DMAP (3.12 g, 25.57 mmol), and DCC (5.27 g, 25.57 mmol) in CH2Cl2 (150 mL) was stirred for 24 h at room temperature. The reaction was filtered and the filtrate was concentrated in vacuo. The residue was dissolved in EtOAc and the mixture was filtered. The organic solution was washed consecutively with 5.5% HCl, water, saturated NaHCO3, and brine. The organic solution was dried over MgSO4, filtered, and concentrated to provide the title compound (5.64 g). The reaction was filtered the filtrate was concentrated in vacuo The residue was dissolved in EtOAc the mixture was filtered The organic solution was washed consecutively with 5.5% HCl, water, saturated NaHCO3, and brine The organic solution was dried over MgSO4 filtered concentrated
来源 ID: ord-f895e18f55fb495bbd91e3f582416c0204
反应 #3278746
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:US06998423B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 3-bromo-phenyl acetic acid (5.00 g, 23.24 mmol), tert-butanol (1.89 g, 25.57 mmol), DMAP (3.12 g, 25.57 mmol), and DCC (5.27 g, 25.57 mmol) in CH2Cl2 (150 mL) was stirred for 24 h at room temperature. The reaction was filtered and the filtrate was concentrated in vacuo. The residue was dissolved in EtOAc and the mixture was filtered. The organic solution was washed consecutively with 5.5% HCl, water, saturated NaHCO3, and brine. The organic solution was dried over MgSO4, filtered, and concentrated to provide the title compound (5.64 g). The reaction was filtered the filtrate was concentrated in vacuo The residue was dissolved in EtOAc the mixture was filtered The organic solution was washed consecutively with 5.5% HCl, water, saturated NaHCO3, and brine The organic solution was dried over MgSO4 filtered concentrated
来源 ID: ord-f895e18f55fb495bbd91e3f582416c0205
反应 #2886026
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:10.6084/m9.figshare.5104873.v1; patent:US06649657B2
反应条件: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 3-bromo-phenyl acetic acid tert-butyl ester (5.64 g, 20.80 mmol), N-vinyl phthalimide (3.60 g, 20.80 mmol), diisopropylethylamine (3.63 g, 28.08 mmol), palladium acetate (107 mg, 0.478 mmol), and tritolylphosphine (475 mg, 1.56 mmol) in acetonitrile (10 mL) was stirred at 90° C. for 20 h. The reaction was cooled to room temperature and ice water (50 mL) was added. EtOAc (50 mL) was added and the organic solution was washed with 5.5% HCl followed by brine. The organic solution was dried over MgSO4, filtered, and concentrated. Purification by flash chromatography (hexanes:EtOAc 9:1 to 4:1) provided the title compound (1.95 g). MS 381 (M+18). The reaction was cooled to room temperature the organic solution was washed with 5.5% HCl The organic solution was dried over MgSO4 filtered concentrated Purification by flash chromatography (hexanes:EtOAc 9:1 to 4:1)
来源 ID: ord-69010a64655a4d408032c62f1cd36cf606
反应 #2886025
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:10.6084/m9.figshare.5104873.v1; patent:US06649657B2
反应条件: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 3-bromo-phenyl acetic acid tert-butyl ester (5.64 g, 20.80 mmol), N-vinyl phthalimide (3.60 g, 20.80 mmol), diisopropylethylamine (3.63 g, 28.08 mmol), palladium acetate (107 mg, 0.478 mmol), and tritolylphosphine (475 mg, 1.56 mmol) in acetonitrile (10 mL) was stirred at 90° C. for 20 h. The reaction was cooled to room temperature and ice water (50 mL) was added. EtOAc (50 mL) was added and the organic solution was washed with 5.5% HCl followed by brine. The organic solution was dried over MgSO4, filtered, and concentrated. Purification by flash chromatography (hexanes:EtOAc 9:1 to 4:1) provided the title compound (1.95 g). MS 381 (M+18). The reaction was cooled to room temperature the organic solution was washed with 5.5% HCl The organic solution was dried over MgSO4 filtered concentrated Purification by flash chromatography (hexanes:EtOAc 9:1 to 4:1)
来源 ID: ord-69010a64655a4d408032c62f1cd36cf607
反应 #2886024
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:US06649657B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 3-bromo-phenyl acetic acid (5.00 g, 23.24 mmol), tert-butanol (1.89 g, 25.57 mmol), DMAP (3.12 g, 25.57 mmol), and DCC (5.27 g, 25.57 mmol) in CH2Cl2 (150 mL) was stirred for 24 h at room temperature. The reaction was filtered and the filtrate was concentrated in vacuo. The residue was dissolved in EtOAc and the mixture was filtered. The organic solution was washed consecutively with 5.5% HCl, water, saturated NaHCO3, and brine. The organic solution was dried over MgSO4, filtered, and concentrated to provide the title compound (5.64 g). The reaction was filtered the filtrate was concentrated in vacuo The residue was dissolved in EtOAc the mixture was filtered The organic solution was washed consecutively with 5.5% HCl, water, saturated NaHCO3, and brine The organic solution was dried over MgSO4 filtered concentrated
来源 ID: ord-e8db57092bd44d249eae185a5922f0a708
反应 #2082502
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:10.6084/m9.figshare.5104873.v1; patent:US06492412B2
反应条件: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 3-bromo-phenyl acetic Acid tert-butyl ester (5.64 g, 20.80 mmol), N-vinyl phthalimide (3.60 g, 20.80 mmol), diisopropylethylamine (3.63 g, 28.08 mmol), palladium acetate (107 mg, 0.478 mmol), and tri-o-tolylphosphine (475 mg, 1.56 mmol) in acetonitrile (10 mL) was stirred at 90° C. for 20 h. The reaction was cooled to room temperature and ice water (50 mL) was added. EtOAc (50 mL) was added and the organic solution was washed with 5.5% HCl followed by brine. The organic solution was dried over MgSO4, filtered, and concentrated. Purification by flash chromatography (hexanes:EtOAc 9:1 to 4:1) provided the title compound (1.95 g). MS 381 (M+18). The reaction was cooled to room temperature the organic solution was washed with 5.5% HCl The organic solution was dried over MgSO4 filtered concentrated Purification by flash chromatography (hexanes:EtOAc 9:1 to 4:1)
来源 ID: ord-6abfe2f2e6cd488c8db4d3bf360b010c09
反应 #2082501
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:10.6084/m9.figshare.5104873.v1; patent:US06492412B2
反应条件: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 3-bromo-phenyl acetic Acid tert-butyl ester (5.64 g, 20.80 mmol), N-vinyl phthalimide (3.60 g, 20.80 mmol), diisopropylethylamine (3.63 g, 28.08 mmol), palladium acetate (107 mg, 0.478 mmol), and tri-o-tolylphosphine (475 mg, 1.56 mmol) in acetonitrile (10 mL) was stirred at 90° C. for 20 h. The reaction was cooled to room temperature and ice water (50 mL) was added. EtOAc (50 mL) was added and the organic solution was washed with 5.5% HCl followed by brine. The organic solution was dried over MgSO4, filtered, and concentrated. Purification by flash chromatography (hexanes:EtOAc 9:1 to 4:1) provided the title compound (1.95 g). MS 381 (M+18). The reaction was cooled to room temperature the organic solution was washed with 5.5% HCl The organic solution was dried over MgSO4 filtered concentrated Purification by flash chromatography (hexanes:EtOAc 9:1 to 4:1)
来源 ID: ord-6abfe2f2e6cd488c8db4d3bf360b010c10
反应 #2082500
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:US06492412B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 3-bromo-phenyl acetic acid (5.00 g, 23.24 mmol), tert-butanol (1.89 g, 25.57 mmol), DMAP (3.12 g, 25.57 mmol), and DCC (5.27 g, 25.57 mmol) in CH2Cl2 (150 mL) was stirred for 24 h at room temperature. The reaction was filtered and the filtrate was concentrated in vacuo. The residue was dissolved in EtOAc and the mixture was filtered. The organic solution was washed consecutively with 5.5% HCl, water, saturated NaHCO3, and brine. The organic solution was dried over MgSO4, filtered, and concentrated to provide the title compound (5.64 g). The reaction was filtered the filtrate was concentrated in vacuo The residue was dissolved in EtOAc the mixture was filtered The organic solution was washed consecutively with 5.5% HCl, water, saturated NaHCO3, and brine The organic solution was dried over MgSO4 filtered concentrated
来源 ID: ord-46c566d89cb4413a870f8da22bf1468211
反应 #1436104
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:10.6084/m9.figshare.5104873.v1; patent:US06344485B1
反应条件: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 3-bromo-phenyl acetic acid tert-butyl ester (5.64 g, 20.80 mmol), N-vinyl phthalimide (3.60 g, 20.80 mmol), diisopropylethylamine (3.63 g, 28.08 mmol), palladium acetate (107 mg, 0.478 mmol), and tri-o-tolylphosphine (475 mg, 1.56 mmol) in acetonitrile (10 mL) was stirred at 90° C. for 20 h. The reaction was cooled to room temperature and ice water (50 mL) was added. EtOAc (50 mL) was added and the organic solution was washed with 5.5% HCl followed by brine. The organic solution was dried over MgSO4, filtered, and concentrated. Purification by flash chromatography (hexanes:EtOAc 9:1 to 4:1) provided the title compound (1.95 g). MS 381 (M+18). The reaction was cooled to room temperature the organic solution was washed with 5.5% HCl The organic solution was dried over MgSO4 filtered concentrated Purification by flash chromatography (hexanes:EtOAc 9:1 to 4:1)
来源 ID: ord-428de5eb872c438a8d800de1e78f31b812
反应 #1436103
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:US06344485B1
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 3-bromo-phenyl acetic acid (5.00 g, 23.24 mmol), tert-butanol (1.89 g, 25.57 mmol), DMAP (3.12 g, 25.57 mmol), and DCC (5.27 g, 25.57 mmol) in CH2Cl2 (150 mL) was stirred for 24 h at room temperature. The reaction was filtered and the filtrate was concentrated in vacuo. The residue was dissolved in EtOAc and the mixture was filtered. The organic solution was washed consecutively with 5.5% HCl, water, saturated NaHCO3, and brine. The organic solution was dried over MgSO4, filtered, and concentrated to provide the title compound (5.64 g). The reaction was filtered the filtrate was concentrated in vacuo The residue was dissolved in EtOAc the mixture was filtered The organic solution was washed consecutively with 5.5% HCl, water, saturated NaHCO3, and brine The organic solution was dried over MgSO4 filtered concentrated
来源 ID: ord-976840525c594cc8a0c73288a175abaaPubChem References
公开参考资料
以下资料来自该化合物的公开数据库参考记录。