2-methyl-1,1-diphenylbutan-1-ol | 66130-01-6

• 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-1,1-diphenylbutan-1-ol
• 英文别名: 2-Methyl-1,1-diphenylbutan-1-oll
• CAS: 66130-01-6
• 化学式: C₁₇H₂₀O
• 分子量: 240.345
• InChiKey: CXQSEFRVFFUZSP-UHFFFAOYSA-N

物化性质

• 沸点：
  185-186 °C(Press: 15 Torr)
• 密度：
  1.0445 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  2-methyl-1,1-diphenylbutan-1-ol 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 以55%的产率得到2-methyl-1,1-diphenylbut-1-ene
  参考文献：
  名称：

  未官能化的四取代无环烯烃的不对称氢化。

  摘要：

  不对称氢化已发展成为构建立构中心的最强大工具之一。然而，未官能化的四取代无环烯烃的不对称氢化仍然是不对称合成和未解决挑战的顶峰。我们在此报告了用于此类烯烃的首次，普遍适用的高度对映和非对映选择性氢化的铱催化剂的发现以及该反应的机理见解。通过以优异的收率和高对映对映和非对映选择性成功地氢化了多种电子和空间上不同的烯烃，证明了这种化学的力量。

  DOI：

  10.1002/anie.201912640
• 作为产物：
  描述：

  2-甲基丁酸 在 硫酸 作用下， 以 四氢呋喃 、 2-甲基四氢呋喃 为溶剂， 反应 9.33h， 生成 2-methyl-1,1-diphenylbutan-1-ol
  参考文献：
  名称：

  铁催化的叠氮化物的1,2-芳基迁移

  摘要：

  通过使用FeCl 2 / N-杂环卡宾（NHC）SIPr·HCl催化体系，实现了α，α-二芳基叔叠氮化物的1,2-芳基迁移。一锅降低迁移结果亚胺后，该反应以高收率生成苯胺产物。

  DOI：

  10.1039/d0cc04579a

文献信息

• Alkyl and aryllanthanum triflates: New reagents for the conversion of tertiary amides to ketones
  作者：Scott Collins、Yaping Hong

  DOI：10.1016/s0040-4039(00)96518-3

  日期：1987.1

  Alkyl and aryllanthanum triflates 1 generated in situ from alkyl or aryllithium compounds and anhydrous lanthanum(III) triflate react with tertiary amides to provide, in excellent yield, the corresponding alkyl or aryl ketones.

  烷基和三氟甲磺酸酯aryllanthanum 1产生原位选自烷基或芳基锂化合物和无水镧（III），三氟甲磺酸与叔酰胺反应，以提供，在良好的产率，相应的烷基或芳基酮。
• Electrochemical alkyl transfer reactions of trialkylborane to carbonyl compounds by use of copper sacrificial anode
  作者：Jung Hoon Choi、Jong Sung Youm、Cheon-Gyu Cho、Myung-Zoon Czae、Book Kee Hwang、Jung Sung Kim

  DOI：10.1016/s0040-4039(98)00915-0

  日期：1998.7

  Alkyl groups in trialkylboranes were successfully transferred to carbonyl compounds in the presence of the platinum cathode and copper anode by electrochemical method. The new, mild electrochemical alkyl transfer reaction produced various substituted alcohols in good yields.

  在铂阴极和铜阳极的存在下，通过电化学方法将三烷基硼烷中的烷基成功转移到羰基化合物上。新的，温和的电化学烷基转移反应以高收率产生了各种取代的醇。
• Highly Efficient Alkylation to Ketones and Aldimines with Grignard Reagents Catalyzed by Zinc(II) Chloride
  作者：Manabu Hatano、Shinji Suzuki、Kazuaki Ishihara

  DOI：10.1021/ja0628405

  日期：2006.8.1

  efficient alkylation to ketones and aldimines with Grignard reagents in the presence of catalytic trialkylzinc(II) ate complexes derived from ZnCl2 (10 mol %) in situ was developed. This simple Zn(II)-catalyzed alkylation could minimize the well-known but serious problems with the use of only Grignard reagents, which leads to reduction and aldol side products, and the yield of desired alkylation products

  在由 ZnCl2 (10 mol%) 衍生的催化三烷基锌 (II) 酸酯配合物的存在下，使用格氏试剂高效地烷基化为酮和醛亚胺。这种简单的 Zn(II) 催化烷基化可以最大限度地减少仅使用格氏试剂而导致还原和羟醛副产物的众所周知但严重的问题，并且可以提高所需烷基化产物的产率。
• The Condensation of Some of the Diphenyl Alkyl Carbinols with Phenol in the Presence of Aluminum Chloride
  作者：Ralph C. Huston、Richard I. Jackson

  DOI：10.1021/ja01847a051

  日期：1941.2
• Structure−Activity Relationship and Multidrug Resistance Study of New <i>S</i>-trityl-<scp>l</scp>-Cysteine Derivatives As Inhibitors of Eg5
  作者：Hung Yi Kristal Kaan、Johanna Weiss、Dominik Menger、Venkatasubramanian Ulaganathan、Katarzyna Tkocz、Christian Laggner、Florence Popowycz、Benoît Joseph、Frank Kozielski

  DOI：10.1021/jm100991m

  日期：2011.3.24

  The mitotic spindle is a validated target for cancer chemotherapy. Drugs such as taxanes and vinca alkaloids specifically target microtubules and cause the mitotic spindle to collapse. However, toxicity and resistance are problems associated with these drugs. Thus, alternative approaches to inhibiting the mitotic spindle are being pursued. These include targeting Eg5, a human kinesin involved in the formation of the bipolar spindle. We previously identified S-trityl-L-cysteine (STLC) as a potent allosteric inhibitor of Eg5. Here, we report the synthesis of a new series of STLC-like compounds with in vitro inhibition in the low nanomolar range. We also performed a multidrug resistance study in cell lines overexpressing P-glycoprotein and showed that some of these inhibitors may have the potential to overcome susceptibility to this efflux pump. Finally, we performed molecular docking of the compounds and determined the structures of two Eg5-inhibitor complexes to explain the structure-activity relationship of these compounds.