2-methyl-1-phenylpropyl acetate | 86561-25-3

• 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: 2-methyl-1-phenylpropyl acetate
• 英文别名: α-Acetoxy-β-methyl-propyl-benzol；2-Methyl-1-phenyl-1-propylacetat；(2-Methyl-1-phenylpropyl) acetate
• CAS: 86561-25-3
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: UMFZMZGXBJNXDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  2-methyl-1-phenylpropyl acetate 生成 (R)-2-methyl-1-phenylpropan-1-ol
  参考文献：
  名称：

  Synthesis of Chiral 1-Arylalkan-1-ols Using Crude Enzymes

  摘要：

  Enantioselective hydrolysis of racemic l-acetoxy-l-arylalkanes has been examined by two selected enzymes, crude pig liver acetone powder and crude goat liver acetone powder, providing l-arylalkan-l-ols in high optical purities.

  DOI：

  10.1080/00397919108021776
• 作为产物：
  描述：

  异丁酰苯 在 吡啶 、 sodium tetrahydroborate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 2-methyl-1-phenylpropyl acetate
  参考文献：
  名称：

  Expanding substrate scope of lipase-catalyzed transesterification by the utilization of liquid carbon dioxide

  摘要：

  Secondary alcohols having bulky substituents on both sides of the chiral center are often poor substrates for most lipases. Here we reported that substrate scopes of two of the most used lipases, Candida antarctica lipase B and Burkholderia cepacia lipase, were found to be expanded toward more bulky secondary alcohols such as 1-phenyl-1-dodecanol and 2-methyl-1-phenyl-1-propanol by simply using them in liquid carbon dioxide as a solvent. The effects of solvents, reaction pressure, and pre-treatment of the enzyme with liquid CO2 on this acceleration phenomenon were also studied. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.11.052

文献信息

• Nucleophilic Substitutions of Alcohols in High Levels of Catalytic Efficiency
  作者：Tanja Stach、Julia Dräger、Peter H. Huy

  DOI：10.1021/acs.orglett.8b01023

  日期：2018.5.18

  A practical method for the nucleophilic substitution (SN) of alcohols furnishing alkyl chlorides, bromides, and iodides under stereochemical inversion in high catalytic efficacy is introduced. The fusion of diethylcyclopropenone as a simple Lewis base organocatalyst and benzoyl chloride as a reagent allows notable turnover numbers up to 100. Moreover, the use of plain acetyl chloride as a stoichiometric

  介绍了一种在立体化学转化下以高催化效率对提供烷基氯化物，溴化物和碘化物的醇进行亲核取代（S N）的实用方法。二乙基环丙烯酮作为一种简单的路易斯碱有机催化剂与苯甲酰氯作为一种试剂的融合，可实现高达100的显着营业额。此外，首次证明了在转化型S N型转化中使用纯乙酰氯作为化学计量的促进剂。。操作上简单明了的协议展现出高水平的立体声选择性和可伸缩性，并且可以容忍各种功能组。
• Selective functionalisation of hydrocarbons by nitric acid and aerobic oxidation catalysed by N-hydroxyphthalimide and iodine under mild conditions
  作者：Francesco Minisci、Francesco Recupero、Cristian Gambarotti、Carlo Punta、Roberto Paganelli

  DOI：10.1016/s0040-4039(03)01687-3

  日期：2003.9

  Alkylbenzenes are selectively functionalised to the corresponding acetates by nitric aerobic oxidation catalysed by N-hydroxyphthalimide and iodine. With cyclohexane the oxidation leads to a mixture of cyclohexyl acetate and trans-2-iodocyclohexyl acetate. The mechanism is discussed.

  通过N-羟基邻苯二甲酰亚胺和碘催化的硝化需氧氧化，烷基苯选择性地官能化为相应的乙酸酯。用环己烷，该氧化反应生成乙酸环己酯和乙酸反式-2-碘代环己基酯的混合物。讨论了该机制。
• HETEROCYCLIC CETP INHIBITORS
  申请人：Salvati E. Mark

  公开号：US20070161685A1

  公开（公告）日：2007-07-12

  Compounds of formula Ia and Ib wherein A, B, C and R 1 are described herein.

  式Ia和Ib的化合物 其中A、B、C和R1 如本文所述。
• Sonochemical switching from ionic to radical pathways in the reactions of styrene and trans-β-Methylstyrene with lead tetraacetate
  作者：Takashi Anto、Patrick Bauchat、André Foucaud、Mitsue Fujita、Takahide Kimura、Hajime Sohmiya

  DOI：10.1016/0040-4039(91)80174-5

  日期：1991.10

  The reactions of styrene and trans-β-methylstyrene with lead tetraacetate in acetic acid are greatly influenced by ultrasonic irradiation to give products resulting mostly from radical chain pathways, whereas mechanical agitation gives products only from ionic processes.

  苯乙烯和反式-β-甲基苯乙烯与乙酸中的四乙酸铅的反应在很大程度上受到超声辐射的影响，从而产生的产物主要来自自由基链途径，而机械搅拌仅产生于离子过程。
• First Ritter-type reaction of alkylbenzenes using N-hydroxyphthalimide as a key catalyst
  作者：Satoshi Sakaguchi、Tomotaka Hirabayashi、Yasutaka Ishii

  DOI：10.1039/b110638d

  日期：2002.2.27

  The first Ritter-type reaction of alkylbenzenes with nitriles has been successfully achieved by the use of N-hydroxyphthalimide (NHPI) as a key catalyst. Thus, treatment of ethylbenzene with ammonium hexanitratocerate(IV) (CAN) in the presence of a catalytic amount of NHPI in EtCN under argon produced the corresponding amide in good selectivity.

  通过使用N-羟基邻苯二甲酰亚胺（NHPI）作为关键催化剂，已成功实现了烷基苯与腈的第一个Ritter型反应。因此，在氩气下，在EtCN中，在催化量的NHPI存在下，用六偏乙酸铵（IV）（CAN）处理乙苯可产生相应的酰胺。