01
反应 #4119419
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-5e7a3714cc0a4a4e99c6900534326fe22D 化学结构数据库编号 22929647
暂无可渲染的结构数据
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)CCBr——
产品信息
1-(2-溴乙基)-3-(三氟甲氧基)苯
1-(2-溴乙基)-3-(三氟甲氧基)苯（CAS 958027-93-5）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958027-93-5
数据库编号22929647
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 22929647
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(=C1)OC(F)(F)F)CCBr
- 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
7 条反应 · 7 篇文献
02
反应 #3190988
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:US07595401B2
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 from 8-(2,5-dimethoxy-phenylsulfanyl)-9H-purin-6-ylamine and. 1-(2-bromo-ethyl)-3-trifluoromethoxy-benzene by a procedure similar to examples 1 and 2. The compound was purified by preparative HPLC. 8-(2,5-Dimethoxy-phenylsulfanyl)-9-[2-(3-trifluoromethoxy-phenyl)-ethyl]-9H-purin-6-ylamine: Yield 17%, 1H NMR (CD3OD) δ 8.18 (s, 1H), 7.33 (t, J=8.0 Hz, 1H), 7.12-7.10 (m, 2H), 7.04-7.01 (m, 3H), 6.95 (bs, 1H), 4.57 (t, J=7.2 Hz, 2H), 3.75 (s, 3H), 3.74 (s, 3H), 3.24 (t, J=7.2 Hz, 2H); LC-MS [M+H]+ 492.1. The compound was purified by preparative HPLC
来源 ID: ord-0a804bb3b32a4342b5f6f74c49c8c76803
反应 #3190989
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:US07595401B2
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 from 8-(2,5-dimethoxy-phenylsulfanyl)-9H-purin-6-ylamine and. 1-(2-bromo-ethyl)-3-trifluoromethoxy-benzene by a procedure similar to examples 1 and 2. The compound was purified by preparative HPLC. 8-(2,5-Dimethoxy-phenylsulfanyl)-9-[2-(3-trifluoromethoxy-phenyl)-ethyl]-9H-purin-6-ylamine: Yield 17%, 1H NMR (CD3OD) δ 8.18 (s, 1H), 7.33 (t, J=8.0 Hz, 1H), 7.12-7.10 (m, 2H), 7.04-7.01 (m, 3H), 6.95 (bs, 1H), 4.57 (t, J=7.2 Hz, 2H), 3.75 (s, 3H), 3.74 (s, 3H), 3.24 (t, J=7.2 Hz, 2H); LC-MS [M+H]+ 492.1. The compound was purified by preparative HPLC
来源 ID: ord-0a804bb3b32a4342b5f6f74c49c8c76804
反应 #2835337
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:US08476285B2
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 from 8-(2,5-dimethoxy-phenylsulfanyl)-9H-purin-6-ylamine and. 1-(2-bromo-ethyl)-3-trifluoromethoxy-benzene by a procedure similar to examples 1 and 2. The compound was purified by preparative HPLC. 8-(2,5-Dimethoxy-phenylsulfanyl)-9-[2-(3-trifluoromethoxy-phenyl)-ethyl]-9H-purin-6-ylamine: Yield 17%, 1H NMR (CD3OD) δ 8.18 (s, 1H), 7.33 (t, J=8.0 Hz, 1H), 7.12-7.10 (m, 2H), 7.04-7.01 (m, 3H), 6.95 (bs, 1H), 4.57 (t, J=7.2 Hz, 2H), 3.75 (s, 3H), 3.74 (s, 3H), 3.24 (t, J=7.2 Hz, 2H); LC-MS [M+H]+ 492.1. The compound was purified by preparative HPLC
来源 ID: ord-9618de4414514a95a7c298dee83f494505
反应 #2487827
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-5e7a3714cc0a4a4e99c6900534326fe206
反应 #731482
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:US07595401B2
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 from 8-(2,5-dimethoxy-phenylsulfanyl)-9H-purin-6-ylamine and. 1-(2-bromo-ethyl)-3-trifluoromethoxy-benzene by a procedure similar to examples 1 and 2. The compound was purified by preparative HPLC. 8-(2,5-Dimethoxy-phenylsulfanyl)-9-[2-(3-trifluoromethoxy-phenyl)-ethyl]-9H-purin-6-ylamine: Yield 17%, 1H NMR (CD3OD) δ 8.18 (s, 1H), 7.33 (t, J=8.0 Hz, 1H), 7.12-7.10 (m, 2H), 7.04-7.01 (m, 3H), 6.95 (bs, 1H), 4.57 (t, J=7.2 Hz, 2H), 3.75 (s, 3H), 3.74 (s, 3H), 3.24 (t, J=7.2 Hz, 2H); LC-MS [M+H]+ 492.1. The compound was purified by preparative HPLC
来源 ID: ord-0a804bb3b32a4342b5f6f74c49c8c76807
反应 #368199
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:US08476285B2
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 from 8-(2,5-dimethoxy-phenylsulfanyl)-9H-purin-6-ylamine and. 1-(2-bromo-ethyl)-3-trifluoromethoxy-benzene by a procedure similar to examples 1 and 2. The compound was purified by preparative HPLC. 8-(2,5-Dimethoxy-phenylsulfanyl)-9-[2-(3-trifluoromethoxy-phenyl)-ethyl]-9H-purin-6-ylamine: Yield 17%, 1H NMR (CD3OD) δ 8.18 (s, 1H), 7.33 (t, J=8.0 Hz, 1H), 7.12-7.10 (m, 2H), 7.04-7.01 (m, 3H), 6.95 (bs, 1H), 4.57 (t, J=7.2 Hz, 2H), 3.75 (s, 3H), 3.74 (s, 3H), 3.24 (t, J=7.2 Hz, 2H); LC-MS [M+H]+ 492.1. The compound was purified by preparative HPLC
来源 ID: ord-9618de4414514a95a7c298dee83f4945PubChem 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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