2,2-dimethoxy-1-phenylbutane | 213270-62-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethoxy-1-phenylbutane
• 英文别名: (2,2-Dimethoxybutyl)benzene；2,2-dimethoxybutylbenzene
• CAS: 213270-62-3
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: UZXMWHJCMJOGGY-UHFFFAOYSA-N

物化性质

• 沸点：
  232.1±20.0 °C(Predicted)
• 密度：
  0.966±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-dimethoxy-1-phenylbutane 在 三氟甲磺酸 、 水 作用下， 生成 1-苯基-2-丁酮
  参考文献：
  名称：

  Novel electrophilic species equivalent to .alpha.-keto cations. Reactions of 0,0-diprotonated nitro olefins with benzenes yield arylmethyl ketones

  摘要：

  DOI：

  10.1021/jo00265a001
• 作为产物：
  描述：

  甲醇 、 1-苯基-1-丁炔 在 <(Cp*Ir)2(μ3-S)2PdCl2> 作用下， 反应 48.0h， 生成 2,2-dimethoxy-1-phenylbutane
  参考文献：
  名称：

  Regioselective Addition of Alcohols to Internal 1-Aryl-1-alkynes Catalyzed by a Triangular Heterobimetallic Ir₂Pd Sulfido Cluster

  摘要：

  研究发现，由[PdCl2(cod)]和[Cp*IrCl(μ-SH)2IrCp*Cl]制备的三角形杂多金属硫化物簇[(Cp*Ir)2(μ3-S)2PdCl2]能催化醇与炔的加成反应，生成相应的酮。特别是，内部 1-芳基-1-炔以高区域选择性转化为相应的 2,2-二烷氧基-1-芳基烷。事实证明，类似的 Ir2PtS2 簇的选择性要低得多。

  DOI：

  10.1246/cl.1998.717

文献信息

• Synthesis and structures of heterobimetallic Ir2M (MPd, Pt) sulfido clusters and their catalytic activity for regioselective addition of alcohols to internal 1-aryl-1-alkynes
  作者：Dai Masui、Takuya Kochi、Zhen Tang、Youichi Ishii、Yasushi Mizobe、Masanobu Hidai

  DOI：10.1016/s0022-328x(00)00619-7

  日期：2001.2

  The heterobimetallic trinuclear sulfido clusters [(Cp*Ir)(2)(mu (3)-S)(2)MCl2] (M = Pd (3), Pt (4); Cp* = eta (5)-C5Me5) were synthesized from the dinuclear hydrogensulfido complex [Cp*IrCl(mu -SH)(2)IrCp*Cl] (2) and [MCl2(COD)] (COD = cycloocta-1,5-diene), while the reaction of 2 with [Pd(PPh3)(4)] afforded the cationic trinuclear cluster [(Cp*Ir)(2)(mu (3)-S)(2)PdCl(PPh3)]Cl (5). Clusters 3 and 4 reacted with PPh3 to give a series of mono and dicationic clusters including 5, while the dicationic clusters [(Cp*Ir)(2)(mu (3)-S)(2)M(dppe)][BPh4](2) (M = Pd (9), Pt (10); dppe = Ph2PCH2CH2PPh2) were obtained by the reaction with dppe followed by anion metathesis. The molecular structures of 5 . CH2Cl2, 9 . CH3COCH3, and 10 . CH3COCH3 were determined by X-ray crystallography. Clusters 3 and 4 were found to catalyze the addition of alcohols to alkynes to give the corresponding acetals. Internal 1-aryl-1-alkynes were transformed by cluster 3 into the corresponding 2,2-dialkoxy-1-arylalkanes with high regioselectivity up to 99:1, while cluster 4 was a much less regioselective catalyst. (C) 2001 Elsevier Science B.V. All rights reserved.