01
反应 #4028863
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-442d997b8ad64b07b24edfdf1f6684382D 化学结构数据库编号 4640671
暂无可渲染的结构数据
SMILES
C1=CC(=CC=C1CBr)C(=O)Br——
产品信息
对溴甲基苯甲酰溴
对溴甲基苯甲酰溴（CAS 876-07-3）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876-07-3
数据库编号4640671
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 4640671
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
- C1=CC(=CC=C1CBr)C(=O)Br
- 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 #3679735
反应式
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:US08895755B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 4-Bromomethylbenzoyl bromide (13.9 g, 50 mmol, 1.0 eq) was added to 50 mL of DCM, followed by t-butanol (9.6 mL, 100 mmol, 2.0 eq) and the mixture was slowly warmed to room temperature. After 20 hours, the reaction was concentrated under reduced pressure, dissolved into 350 mL EtOAc, washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl. The organic was dried over MgSO4, filtered, and concentrated under reduced pressure to yield intermediate (19a) as a semisolid (7.3 g). the reaction was concentrated under reduced pressure dissolved into 350 mL EtOAc washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl The organic was dried over MgSO4 filtered concentrated under reduced pressure
来源 ID: ord-0d198f043ec84c9a9db0c7fc309d342b03
反应 #3439907
反应式
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:US08569351B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 4-Bromomethylbenzoyl bromide (13.9 g, 50 mmol, 1.0 eq) was added to 50 mL of DCM, followed by t-butanol (9.6 mL, 100 mmol, 2.0 eq) and the mixture was slowly warmed to room temperature. After 20 hours, the reaction was concentrated under reduced pressure, dissolved into 350 mL EtOAc, washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl. The organic was dried over MgSO4, filtered, and concentrated under reduced pressure to yield intermediate (19a) as a semisolid (7.3 g). the reaction was concentrated under reduced pressure dissolved into 350 mL EtOAc washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl The organic was dried over MgSO4 filtered concentrated under reduced pressure
来源 ID: ord-dca2709b9a38463b9b9d24df3ee5550704
反应 #3393880
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:US07981874B2
反应条件: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 4-Bromomethyl-benzoyl bromide (0.70 g, 2.52 mmol) was made 0.21 M in anhydrous DCM and cooled to −78° C. To this stirring solution was added (2-amino-4-thiophen-2-yl-phenyl)-carbamic acid tert-butyl ester (0.73 g, 2.52 mmol) followed by DIPEA (0.98 g, 7.56 mmol). The resulting solution was warmed to ambient temperature and stirred for 18 hours. The reaction mixture was then diluted with 0.1 N HCl and extracted with EtOAc. The organic layer was then washed with saturated aqueous sodium bicarbonate, brine, dried (MgSO4), and concentrated in vacuo to afford the title compound: 1H NMR (DMSO-d6, 600 MHz) 9.90 (s, 1H), 8.72 (s, 1H), 7.94 (d, J=7.8. Hz, 2H), 7.78-7.80 (m, 1H), 7.57-7.62 (m, 3H), 7.47-7.51 (m, 2H), 7.42-7.44 (m, 1H), 7.09-7.12 (m, 1H), 4.77 (s, 2H), 1.43 (s, 9H). The resulting solution was warmed to ambient temperature extracted with EtOAc The organic layer was then washed with saturated aqueous sodium bicarbonate, brine dried (MgSO4) concentrated in vacuo
来源 ID: ord-f5ea022b28b947cca98a473ee054d7a305
反应 #3318404
反应式
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:US09273008B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 4-Bromomethylbenzoyl bromide (13.9 g, 50 mmol, 1.0 eq) was added to 50 mL of DCM, followed by t-butanol (9.6 mL, 100 mmol, 2.0 eq) and the mixture was slowly warmed to room temperature. After 20 hours, the reaction was concentrated under reduced pressure, dissolved into 350 mL EtOAc, washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl. The organic was dried over MgSO4, filtered, and concentrated under reduced pressure to yield intermediate (19a) as a semisolid (7.3 g). the reaction was concentrated under reduced pressure dissolved into 350 mL EtOAc washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl The organic was dried over MgSO4 filtered concentrated under reduced pressure
来源 ID: ord-d4d6356c2ab94756b36d6d18cbeb3f4206
反应 #3301593
反应式
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:US08013005B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 4-Bromomethylbenzoyl bromide (13.9 g, 50 mmol, 1.0 eq) was added to 50 mL of DCM, followed by t-butanol (9.6 mL, 100 mmol, 2.0 eq) and the mixture was slowly warmed to room temperature. After 20 hours, the reaction was concentrated under reduced pressure, dissolved into 350 mL EtOAc, washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl. The organic was dried over MgSO4, filtered, and concentrated under reduced pressure to yield intermediate (19a) as a semisolid (7.3 g). the reaction was concentrated under reduced pressure dissolved into 350 mL EtOAc washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl The organic was dried over MgSO4 filtered concentrated under reduced pressure
来源 ID: ord-7af61c07c1924ed583535a36191f4ca607
反应 #3301592
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:US08013005B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 4-Bromomethylbenzoyl bromide (13.9 g, 50 mmol, 1.0 eq) was added to 50 mL of DCM, followed by t-butanol (9.6 mL, 100 mmol, 2.0 eq) and the mixture was slowly warmed to room temperature. After 20 hours, the reaction was concentrated under reduced pressure, dissolved into 350 mL EtOAc, washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl. The organic was dried over MgSO4, filtered, and concentrated under reduced pressure to yield intermediate (19a) as a semisolid (7.3 g). the reaction was concentrated under reduced pressure dissolved into 350 mL EtOAc washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl The organic was dried over MgSO4 filtered concentrated under reduced pressure
来源 ID: ord-7af61c07c1924ed583535a36191f4ca608
反应 #3268491
反应式
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:US08236846B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 4-Bromomethylbenzoyl bromide (13.9 g, 50 mmol, 1.0 eq) was added to 50 mL of DCM, followed by t-butanol (9.6 mL, 100 mmol, 2.0 eq) and the mixture was slowly warmed to room temperature. After 20 hours, the reaction was concentrated under reduced pressure, dissolved into 350 mL EtOAc, washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl. The organic was dried over MgSO4, filtered, and concentrated under reduced pressure to yield intermediate (19a) as a semisolid (7.3 g). the reaction was concentrated under reduced pressure dissolved into 350 mL EtOAc washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl The organic was dried over MgSO4 filtered concentrated under reduced pressure
来源 ID: ord-6701658534f54ae4adbf78946dc2fd9109
反应 #3268490
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:US08236846B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 4-Bromomethylbenzoyl bromide (13.9 g, 50 mmol, 1.0 eq) was added to 50 mL of DCM, followed by t-butanol (9.6 mL, 100 mmol, 2.0 eq) and the mixture was slowly warmed to room temperature. After 20 hours, the reaction was concentrated under reduced pressure, dissolved into 350 mL EtOAc, washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl. The organic was dried over MgSO4, filtered, and concentrated under reduced pressure to yield intermediate (19a) as a semisolid (7.3 g). the reaction was concentrated under reduced pressure dissolved into 350 mL EtOAc washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl The organic was dried over MgSO4 filtered concentrated under reduced pressure
来源 ID: ord-6701658534f54ae4adbf78946dc2fd9110
反应 #2689862
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:US08895755B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 4-Bromomethylbenzoyl bromide (13.9 g, 50 mmol, 1.0 eq) was added to 50 mL of DCM, followed by t-butanol (9.6 mL, 100 mmol, 2.0 eq) and the mixture was slowly warmed to room temperature. After 20 hours, the reaction was concentrated under reduced pressure, dissolved into 350 mL EtOAc, washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl. The organic was dried over MgSO4, filtered, and concentrated under reduced pressure to yield intermediate (19a) as a semisolid (7.3 g). the reaction was concentrated under reduced pressure dissolved into 350 mL EtOAc washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl The organic was dried over MgSO4 filtered concentrated under reduced pressure
来源 ID: ord-0d198f043ec84c9a9db0c7fc309d342b11
反应 #2689861
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:US08895755B2
反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 4-Bromomethylbenzoyl bromide (13.9 g, 50 mmol, 1.0 eq) was added to 50 mL of DCM, followed by t-butanol (9.6 mL, 100 mmol, 2.0 eq) and the mixture was slowly warmed to room temperature. After 20 hours, the reaction was concentrated under reduced pressure, dissolved into 350 mL EtOAc, washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl. The organic was dried over MgSO4, filtered, and concentrated under reduced pressure to yield intermediate (19a) as a semisolid (7.3 g). the reaction was concentrated under reduced pressure dissolved into 350 mL EtOAc washed with 400 mL sat. bicarbonate and 200 mL saturated aqueous NaCl The organic was dried over MgSO4 filtered concentrated under reduced pressure
来源 ID: ord-0d198f043ec84c9a9db0c7fc309d342b12
反应 #2390089
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-442d997b8ad64b07b24edfdf1f668438PubChem 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。
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