4,4-dimethyl-1-phenyl-1-pentanol | 54288-06-1

• 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: 4,4-dimethyl-1-phenyl-1-pentanol
• 英文别名: 4,4-dimethyl-1-phenyl-pentan-1-ol；α-(3,3-dimethyl-butyl)-benzenemethanol；(β-tert.-Butylethyl)phenylmethanol；1-Phenyl-4,4-dimethyl-1-pentanol；US11618753, Example 161；4,4-dimethyl-1-phenylpentan-1-ol
• CAS: 54288-06-1
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: IFMZYGFNUQYFBP-UHFFFAOYSA-N

物化性质

• 沸点：
  242.7±8.0 °C(Predicted)
• 密度：
  0.946±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,4-dimethyl-1-phenyl-1-pentanol 在 ammonium cerium(IV) nitrate 作用下， 生成 3,3-dimethyl-1-nitrooxy-butane
  参考文献：
  名称：

  Oxidation of organic compounds with Cerium(IV). XX. Abnormally rapid rate of oxidative cleavage of (.beta.-trimethylsilylethyl)phenylmethanol

  摘要：

  DOI：

  10.1021/ja00833a023
• 作为产物：
  描述：

  3,3-二甲基-1-丁烯 在 bis(1,5-cyclooctadiene)nickel (0) 、 三叔丁基膦 、 caesium carbonate 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 反应 34.0h， 生成 4,4-dimethyl-1-phenyl-1-pentanol
  参考文献：
  名称：

  镍与三烷基硼烷的镍催化烷基化。

  摘要：

  [反应：见正文]在催化量的5-烯丙基，1,2,3,4,5-五甲基-1,3-环戊二烯或过量的铯存在下，镍与三烷基硼烷的烷基化烷基化反应顺利进行碳酸得到相应的仲醇。

  DOI：

  10.1021/ol051917b

文献信息

• Alkylation of Aldehydes with Trialkylboranes in Water
  作者：Koji Hirano、Hideki Yorimitsu、Koichiro Oshima

  DOI：10.1002/adsc.200606136

  日期：2006.8

  Water enables the alkylation of aldehydes with trialkylboranes under nickel catalysis without the addition of a base. Trialkylboranes prepared from borane-dimethyl sulfide and terminal olefins via hydroboration as well as commercially available trialkylboranes could be employed for the reaction. The reaction would proceed via η2-coordinated nickel complexes with aldehydes as the key intermediates.

  水能够在镍催化下用三烷基硼烷将醛烷基化，而无需添加碱。由硼烷-二甲硫和末端烯烃经硼氢化处理制得的三烷基硼烷以及可商购的三烷基硼烷可用于该反应。该反应将进行经由η 2种配位的镍配合物与醛作为关键中间体。
• Efficient Iron-Catalyzed Direct β-Alkylation of Secondary Alcohols with Primary Alcohols
  作者：Jian Yang、Xin Liu、Da-Li Meng、Hong-Yan Chen、Zhi-Hui Zong、Ting-Ting Feng、Kai Sun

  DOI：10.1002/adsc.201000907

  日期：2012.2

  β-alkylation of secondary alcohols with primary alcohols is described. In the presence of the commercially available iron catalyst (ferrocenecarboxaldehyde, 1b) and a catalytic amount of base, the reactions give β-alkylated higher alcohols in high yields in the absence of any sacrificial agents (hydrogen acceptors or hydrogen donors) and nitrogen or phosphorus ligands. For the first time, iron is employed

  描述了仲醇与伯醇的有效铁催化的直接β-烷基化。在市售的铁催化剂（二茂铁甲醛，1b）和催化量的碱存在下，反应在没有任何牺牲剂（氢受体或氢供体）和氮或磷的情况下，以高收率得到β-烷基化的高级醇。配体。在这种类型的反应中，铁首次成为贵金属基催化剂的廉价原子且对环境无害的替代方法，且原子效率高。
• AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20200347071A1

  公开（公告）日：2020-11-05

  The disclosure relates to compounds of formula I which are useful as kinase modulators including RIPK 1 modulation. The disclosure also provides methods of making and using the compounds for example in treatments related to necrosis or inflammation as well as other indications.
• INDAZOLE CARBOXAMIDES AS KINASE INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20210309633A1

  公开（公告）日：2021-10-07

  Compounds having formula (I), and enantiomers, and diastereomers, stereoisomers, pharmaceutically-acceptable salts thereof, are useful as kinase modulators, including RIPK1 modulation. All the variables are as defined herein.
• Nickel-Catalyzed Alkylation of Aldehydes with Trialkylboranes
  作者：Koji Hirano、Hideki Yorimitsu、Koichiro Oshima

  DOI：10.1021/ol051917b

  日期：2005.10.1

  [reaction: see text] Nickel-catalyzed alkylation of aldehydes with trialkylboranes proceeds smoothly in the presence of a catalytic amount of 5-allyl-1,2,3,4,5-pentamethyl-1,3-cyclopentadiene or an excess of cesium carbonate to afford the corresponding secondary alcohols.

  [反应：见正文]在催化量的5-烯丙基，1,2,3,4,5-五甲基-1,3-环戊二烯或过量的铯存在下，镍与三烷基硼烷的烷基化烷基化反应顺利进行碳酸得到相应的仲醇。