4-(4-methoxyphenyl)-2,2-dimethylbutanal | 114423-22-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(4-methoxyphenyl)-2,2-dimethylbutanal
• CAS: 114423-22-2
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: STLWZMUVFHUENU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  rac-1-methoxy-4-[(3-methylbut-3-en-2-yloxy)methyl]benzene 在 Zeolite β 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以45%的产率得到5-(4-methoxyphenyl)-3-methylpentan-2-one
  参考文献：
  名称：

  Mechanistic Aspects of the Zeolite beta Induced Rearrangement of Alkoxybenzyl Allyl Ethers to Aldehydes and Ketones.

  摘要：

  The mechanism for the novel zeolite beta catalyzed rearrangement of alkoxybenzyl allyl ethers to aldehydes and ketones has been investigated by use of cross reactions and deuterium labeling. The reaction is mainly intramolecular and may be described as a nucleophilic attack of the double bond on the electrophilic benzylic carbon of the ether-Lewis acid complex, followed by a 1,2-hydride (or alkyl) migration.

  DOI：

  10.3891/acta.chem.scand.52-0095

文献信息

• Enantiospecific bromonium ion generation and intramolecular capture: a model system for asymmetric bromonium ion-induced polyene cyclisations
  作者：D. Christopher Braddock、Jared S. Marklew、Alexander J. F. Thomas

  DOI：10.1039/c1cc13619d

  日期：——

  Scalemic bromonium ions generated enantiospecifically by the action of catalytic triflic acid on scalemic regioisomeric bromohydrin derivatives are trapped intramolecularly, enantiospecifically and regioselectively to give bicyclic brominated carbocycles in excellent yield and high enantiomeric excess. This enantiospecific pathway is not significantly perturbed by the addition of a trisubstituted alkene

  通过催化三氟甲基磺酸对规模性区域异构体溴代醇衍生物的作用而对映体特异性产生的规模性溴离子被分子内，对映体特异性和区域选择性地捕集，从而以优异的收率和高的对映体过量得到双环溴化碳环。通过添加三取代的烯烃，该对映体特异性途径不会受到显着干扰。
• Fluoropyrrolidines as dipeptidyl peptidase inhibitors
  申请人：——

  公开号：US20040171848A1

  公开（公告）日：2004-09-02

  The present invention relates to novel compounds, their use for inhibiting serine proteases, such as dipeptidyl peptidases, such as dipeptidyl peptidase IV (DPP-IV) and to methods for their production and their therapeutic utility.

  本发明涉及新型化合物，其用于抑制丝氨酸蛋白酶，例如二肽基肽酶，例如二肽基肽酶IV（DPP-IV），以及其生产方法和治疗效用。
• Zeolite β-Induced Rearrangement of Alkoxybenzyl Allyl Ethers to Aldehydes and Ketones. 5.¹ Variation of the Allylic Moiety
  作者：Johan Wennerberg、Charlotte Olofsson、Torbjörn Frejd

  DOI：10.1021/jo972243o

  日期：1998.5.1

  Allylic PMB ethers rearranged in the presence of zeolite beta to form 4-arylbutanals or 5-arylpentanones depending on the substituent pattern of the allylic moiety. Best results were obtained with substrates carrying simple substituents in the allylic 2-position, but a couple of substrates lacking a 2-substituent also rearranged. More functionalized substituents in this position were not tolerated. A propargyl PMB ether and a homoallylic PMB ether rearranged as well, but the products were mixtures of isomeric olefins. The 4-arylbutanals 2c and 2e and the 5-arylpentanone 2j were cyclized in PPA to give naphthalene and dihydronaphthalene derivatives, respectively.
• Friedel-Crafts cyclialkylations of some epoxides. 3. Cyclizations of tertiary and meta-substituted arylalkyl epoxides
  作者：Stephen K. Taylor、Curtis L. Blankespoor、Suzanne M. Harvey、Lynell J. Richardson

  DOI：10.1021/jo00249a032

  日期：1988.7
• FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1406873A2

  公开（公告）日：2004-04-14