1-(α-acetoxyethyl)-4-t-butylbenzene | 101325-13-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(α-acetoxyethyl)-4-t-butylbenzene
• 英文别名: 1-(4-tert-butylphenyl)ethyl acetate；4-(1,1-dimethylethyl)-α-methyl-benzenemethanol, acetate；p-tert.-butyl-α-methylbenzyl acetate；p-tert-butyl-α-methylbenzyl acetate；4-tert.-Butyl-1-<1-acetoxy-ethyl>-benzol；1-<4-tert.-Butyl-phenyl>-ethylacetat；(-)-p-Tert.-butyl-alpha-methylbenzyl acetate
• CAS: 101325-13-7
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: HXXNHWIDDXSCBG-UHFFFAOYSA-N

物化性质

• 沸点：
  277.9±9.0 °C(Predicted)
• 密度：
  0.974±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(α-acetoxyethyl)-4-t-butylbenzene 在 硝酸乙酸酐 、 硫酸 作用下， 以 乙酸酐 为溶剂， 反应 3.0h， 生成 1-(4-tert-butyl-2-nitrosophenyl)ethanone
  参考文献：
  名称：

  Synthesis of o-nitrosoacylbenzenes from o-nitrobenzyl alcohols and their derivatives

  摘要：

  Nitration of substituted benzyl alcohols, as well as ethers and esters derived therefrom, with nitric acid in acetic anhydride was studied. The corresponding o-nitrobenzyl alcohols and their derivatives formed as the primary products are capable of being converted into o-nitrosoacylbenzenes by the action of acids.

  DOI：

  10.1134/s1070428006010143
• 作为产物：
  描述：

  碘苯二乙酸 、 1-叔丁基-4-乙基苯 在 4-硝基苯磺酰胺 、 碘 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 2.0h， 以68%的产率得到1-(α-acetoxyethyl)-4-t-butylbenzene
  参考文献：
  名称：

  在催化量的TsNH 2和I 2存在下用PhI（OAc）2烷基苯的苯乙酰乙酰氧基化

  摘要：

  在催化量的对甲苯磺酰胺或对硝基苯磺酰胺的存在下，用（二乙酰氧基碘）苯处理烷基苯，在60°C下于1,2-二氯乙烷中用分子碘制得相应的（α-乙酰氧基）烷基苯。本反应是将乙酰氧基引入烷基苯的苄基位置的简单方法。

  DOI：

  10.1016/j.tetlet.2011.06.036

文献信息

• Benzylthio pyridazinone derivatives, preparation thereof, and
  申请人：Nissan Chemical Industries

  公开号：US04877787A1

  公开（公告）日：1989-10-31

  Novel 3(2H)-pyridazinone derivatives having the formula I: ##STR1## wherein, R is a straight or branched C.sub.2 to C.sub.6 alkyl, R.sup.1 and R.sup.2 are each independently hydrogen or a lower alkyl, R.sup.4 is a halogen, R.sup.3 is a halogen, an alkyl, a cycloalkyl, an alkoxy, a haloalkyl, a haloalkoxy, --CN, --NO.sub.2, a phenyl, a benzyloxy, a benzyl, a phenoxy, a phenylthio, a pyridyloxy, a quinoxalyloxy, a lower alkenyloxy, a lower alkylthio, a lower haloalkylthio, --Si(CH.sub.3).sub.3, --OH, --N(CH.sub.3).sub.2, --SCN, --COOCH.sub.3 or --OCH(CH.sub.3)COOC.sub.2 H.sub.5, and n is an integer of 1 to 5, said R.sup.3 being the same or different when n is an integer of 2 to 5. A process for preparation of said derivatives is also provided. These derivatives are useful as an active ingredient of insecticidal, acaricidal, nematicidal and/or fungicidal compositions for agricultural and horticultural uses as well as of expellent compositions for ticks parasitic on animals.

  3(2H)-吡啶嗪酮衍生物，化学式为I：##STR1##其中，R为直链或支链的C.sub.2到C.sub.6烷基，R.sup.1和R.sup.2分别独立地是氢或较低的烷基，R.sup.4是卤素，R.sup.3是卤素，烷基，环烷基，烷氧基，卤代烷基，卤代烷氧基，--CN，--NO.sub.2，苯基，苄氧基，苄基，苯氧基，苯硫基，吡啶氧基，喹啉氧基，较低烯氧基，较低烷硫基，较低卤代烷硫基，--Si(CH.sub.3).sub.3，--OH，--N(CH.sub.3).sub.2，--SCN，--COOCH.sub.3或--OCH(CH.sub.3)COOC.sub.2 H.sub.5，n为1到5的整数，当n为2到5的整数时，所述的R.sup.3可以相同也可以不同。还提供了一种制备这些衍生物的方法。这些衍生物可用作农业和园艺用途的杀虫剂、杀螨剂、杀线虫剂和/或杀真菌剂的活性成分，以及用于驱逐寄生在动物身上的蜱虫的驱虫剂成分。
• Pyridazinone derivatives, preparation thereof and insecticidal, acaricidal, fungicidal compositions
  申请人：NISSAN CHEMICAL INDUSTRIES LTD.

  公开号：EP0134439A1

  公开（公告）日：1985-03-20

  Novel 3(2H)-pyridazinone derivatives having the formula wherein, R ist an straight or branched C2 to C6 alkyl, R1 and R2 are each independently hydrogen or a lower alkyl, R4 is a halogen, R3 is a halogen, an alkyl, a cycloalkyl, an alkoxy, a haloalkyl, a haloalkoxy, -CN, -N02, a phenyl, a benzyloxy, a benzyl, a phenoxy, a phenylthio, a pyridyloxy, a quinoxalyloxy, a lower alkenyloxy, a lower alkylthio, a lower haloalkylthio, -Si(CH3)3, -OH, -N(CH3)2, -SCN, -COOCH3 or -OCH(CH3)COOC2H5, and n is an integer of 1 to 5, said R3 being the same or different when n is an integer of 2 to 5. A process for preparation of said derivatives is also provided. These derivatives are useful as an active ingredient of insecticidal, acaricidal, nematicidal and/or fungicidal compositions for agricultural and horticultural uses as well as of expellent compositions for ticks parasitic on animals.

  新型 3(2H)-哒嗪酮衍生物，其式如下 苯硫基、吡啶氧基、喹喔啉氧基、低级烯氧基、低级烷硫基、低级卤代烷硫基、-Si(CH3)3、-OH、-N(CH3)2、-SCN、-COOCH3 或-OCH(CH3)COOC2H5，且 n 为 1 至 5 的整数，当 n 为 2 至 5 的整数时，所述 R3 相同或不同。还提供了制备上述衍生物的工艺。这些衍生物可用作农业和园艺用途的杀虫、杀螨、杀线虫和/或杀真菌组合物以及驱除寄生在动物身上的蜱组合物的活性成分。
• US4877787A
  申请人：——

  公开号：US4877787A

  公开（公告）日：1989-10-31
• US5026850A
  申请人：——

  公开号：US5026850A

  公开（公告）日：1991-06-25
• Synthesis of o-nitrosoacylbenzenes from o-nitrobenzyl alcohols and their derivatives
  作者：R. A. Gazzaeva、A. N. Fedotov、E. V. Trofimova、O. A. Popova、S. S. Mochalov、N. S. Zefirov

  DOI：10.1134/s1070428006010143

  日期：2006.1

  Nitration of substituted benzyl alcohols, as well as ethers and esters derived therefrom, with nitric acid in acetic anhydride was studied. The corresponding o-nitrobenzyl alcohols and their derivatives formed as the primary products are capable of being converted into o-nitrosoacylbenzenes by the action of acids.