2-ethyl-benzhydrol | 2029-73-4

• 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-ethyl-benzhydrol
• 英文别名: 2-Aethyl-benzhydrol；(2-Ethylphenyl)(phenyl)methanol；(2-ethylphenyl)-phenylmethanol
• CAS: 2029-73-4
• 化学式: C₁₅H₁₆O
• 分子量: 212.291
• InChiKey: YODNOIRFGCSEQZ-UHFFFAOYSA-N

物化性质

• 熔点：
  60.8 °C(Solv: ligroine (8032-32-4))
• 沸点：
  170-175 °C(Press: 2.5 Torr)
• 密度：
  1.061±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2906299090

反应信息

• 作为反应物：
  描述：

  2-ethyl-benzhydrol 在 potassium Sodium 、 乙醚 作用下， 生成 2,2-二苯基乙酸
  参考文献：
  名称：

  Ziegler; Thielmann, Chemische Berichte, 1923, vol. 56, p. 1741

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙基苯甲酸 在 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 生成 2-ethyl-benzhydrol
  参考文献：
  名称：

  Fleurke,K.H. et al., Recueil des Travaux Chimiques des Pays-Bas, 1962, vol. 81, p. 93 - 101

  摘要：

  DOI：

文献信息

• Cobalt-Catalyzed Asymmetric Hydrogenation of 1,1-Diarylethenes
  作者：Jianhui Chen、Chenhui Chen、Chonglei Ji、Zhan Lu

  DOI：10.1021/acs.orglett.6b00453

  日期：2016.4.1

  Highly enantioselective cobalt-catalyzed hydrogenation of 1,1-diarylethenes was developed by using bench-stable chiral oxazoline iminopyridine–cobalt complexes as precatalysts. A unique o-chloride effect was observed to achieve high enantioselectivity. Easy removal as well as further transformations of the chloro group make this protocol a potentially useful alternative to synthesize various chiral

  通过使用稳定的手性恶唑啉亚氨基吡啶-钴络合物作为前催化剂，开发了对映体选择性高的钴催化的1,1-二芳烃的氢化反应。观察到独特的邻氯化物效应实现了高对映选择性。易于除去以及氯基团的进一步转化使该方案成为合成各种手性1,1-二芳基乙烷的潜在有用替代品。此过程可以在室温下1克大气压的氢气中以克为单位成功进行。
• [EN] C-ARYL GLUCOSIDE SGLT2 INHIBITORS<br/>[FR] INHIBITEURS DE SGLT2 A BASE DE GLUCOSIDE C-ARYLE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2001027128A1

  公开（公告）日：2001-04-19

  SGLT2 inhibiting compounds are provided having formula (I) where R?1, R2, and R2a¿ are independently hydrogen, OH, OR5, lower alkyl, CF¿3?, OCHF2, OCF3, SR?5i¿ or halogen, or two of R?1, R2 and R2a¿ together with the carbons to which they are attached can form an annelated five, six or seven membered carbocycle or heterocycle; R?3 and R4¿ are independently hydrogen, OH, OR5a, OAryl, OCH¿2?Aryl, lower alkyl, cycloalkyl, CF3, -OCHF2, -OCF3, halogen, -CN, -CO2R?5b, -CO¿2H, -COR6b, -CH(OH)R6c, -CH(OR?5h)R6d, -CONR6R6a¿, -NHCOR5c, -NHSO¿2R?5d, -NHSO¿2?Aryl, Aryl, -SR?5e, -SOR5f, SO¿2R5g, SO2Aryl, or a five, six or seven membered heterocycle, or R?3 and R4¿ together with the carbons to which they are attached form an annelated five, six or seven membered carbocycle or heterocycle; R?5, R5a, R5b, R5c, R5d, R5e, R5f, R5g, R5h, and R5I¿ are independently lower alkyl; R?6, R6a, R6b, R6c and R6d¿ are independently hydrogen, alkyl, aryl, alkylaryl or cycloalkyl, or R?6 and R6a¿ together with the nitrogen to which they are attached form an annelated five, six or seven membered heterocycle; A is O, S, NH, or (CH¿2?)n where n is 0 - 3. A method is also provided for treating diabetes and related diseases employing an SGLT2 inhibiting amount of the above compound alone or in combination with another antidiabetic agent or other therapeutic agent.

  提供具有公式（I）的SGLT2抑制化合物，其中R?1，R2和R2a¿独立地是氢，OH，OR5，低碳基，CF¿3？，OCHF2，OCF3，SR?5i¿或卤素，或者R?1，R2和R2a¿中的两个与它们附着的碳可以形成一个嵌环的五元，六元或七元碳环或杂环；R?3和R4¿独立地是氢，OH，OR5a，OAryl，OCH¿2？Aryl，低碳基，环烷基，CF3，-OCHF2，-OCF3，卤素，-CN，-CO2R?5b，-CO¿2H，-COR6b，-CH（OH）R6c，-CH（OR?5h）R6d，-CONR6R6a¿，-NHCOR5c，-NHSO¿2R?5d，-NHSO¿2？Aryl，芳基，-SR?5e，-SOR5f，SO¿2R5g，SO2Aryl或五元，六元或七元杂环，或R?3和R4¿与它们附着的碳形成一个嵌环的五元，六元或七元碳环或杂环；R?5，R5a，R5b，R5c，R5d，R5e，R5f，R5g，R5h和R5I¿独立地是低碳基；R?6，R6a，R6b，R6c和R6d¿独立地是氢，烷基，芳基，烷基芳基或环烷基，或者R?6和R6a¿与它们附着的氮一起形成一个嵌环的五元，六元或七元杂环；A是O，S，NH或（CH¿2？）n，其中n为0-3。还提供了一种使用上述化合物的SGLT2抑制量单独或与另一种抗糖尿病药物或其他治疗药物组合治疗糖尿病和相关疾病的方法。
• Synthesis of Chiral Diaryl Methanols via RuPHOX‐Ru Catalyzed Asymmetric Hydrogenation
  作者：Jiayu Zhou、Jianxun Ye、Yang Zhang、Zhaodi Li、Jingjing Li、Delong Liu、Wanbin Zhang

  DOI：10.1002/adsc.202300213

  日期：——

  The RuPHOX-Ru catalyzed asymmetric hydrogenation of diaryl ketones has been established, providing the corresponding chiral diaryl methanols in up to 99% yield and 99% ee. The protocol could be performed on a gram-scale with a relatively low catalyst loading (2000 S/C) and the resulting products allow for several useful transformations, in particular for the synthesis of chiral drugs, such as, (S)-Orphenadrine

  已经建立了 RuPHOX-Ru 催化的二芳基酮不对称氢化，以高达 99% 的产率和 99% ee 提供相应的手性二芳基甲醇。该方案可以在催化剂负载量相对较低 (2000 S/C) 的克规模上进行，所得产品可进行多种有用的转化，特别是用于手性药物的合成，例如 ( S ) -Orphenadrine和( S )-新苯二甲酸。氘标记和对照实验表明，RuPHOX-Ru 催化的不对称氢化完全以 H 2作为唯一氢源进行氢化。
• Cobalt-Catalyzed Enantioselective Hydrogenation of Diaryl Ketones with Ferrocene-Based Secondary Phosphine Oxide Ligands
  作者：Liyao Zeng、Menglong Zhao、Bijin Lin、Jingyuan Song、James H. R. Tucker、Jialin Wen、Xumu Zhang

  DOI：10.1021/acs.orglett.3c02530

  日期：2023.8.25

  A new class of cobalt catalytic system for asymmetric hydrogenation of ketones was herein reported, involving the development of novel ferrocene-based secondary phosphine oxide ligands. An unusual P–O bidentate coordination pattern with cobalt was confirmed by an X-ray diffraction study. The bichelating tetrahedral cobalt(II) complexes afforded high reactivities (up to 99% yield) and good to excellent

  本文报道了一种用于酮不对称氢化的新型钴催化系统，涉及新型二茂铁基二氧化膦配体的开发。X 射线衍射研究证实了与钴的不寻常的 P-O 二齿配位模式。双螯合四面体钴(II)配合物在各种邻位取代的二芳基酮的AH中具有高反应活性（产率高达99%）和良好至优异的对映选择性（高达92% ee）。此外，二茂铁基钴配合物具有有趣的紫外-可见吸收和电化学性质。
• [EN] AMINO ACID COMPLEXES OF C-ARYL GLUCOSIDES FOR TREATMENT OF DIABETES AND METHOD<br/>[FR] COMPLEXES ACIDES AMINES DE GLUGOCIDES C-ARYLE POUR LE TRAITEMENT DU DIABETE ET PROCEDE CORRESPONDANT
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2002083066A2

  公开（公告）日：2002-10-24

  Crystalline complexes are obtained from a 1:1 or 2:1 mixtures of either the (D) or (L) enantiomer of natural amino acids and compounds of formula (I) wherein R1, R2 and R2a are independently hydrogen, OH, OR5, alkyl, -OCHF?2, -OCF3¿, -SR¿5a? or halogen; R3 and R4 are independently hydrogen, OH, OR5b, alkyl, cycloalkyl, CF?3, -OCHF2, -OCF3¿, halogen, -CONR¿6?R6a, -CO?2R¿5c, -CO2H, -COR¿6b?, -CH(OH)R6c, -CH(OR5d)R6d, -CN, -NHCOR5e, -NHSO?2R¿5f, -NHSO2Aryl, -SR¿5g?, -SOR5h, -SO?2R¿5i, or a five, six or seven membered heterocycle which may contain 1 to 4 heteroatoms in the ring which are N, O, S, SO, and/or SO2, or R¿3? and R4 together with the carbons to which they are attached form an annelated five, six or seven membered carbocycle or heterocycle which may contain 1 to 4 heteroatoms in the ring which are N, O, S, SO, and/or SO?2; R¿5, R5a, R5b, R5c, R5d, R5e, R5f, R5g, R5h and R5i are independently alkyl; R6, R6a, R6b, R6c and R6d are independently hydrogen, alkyl, aryl, alkylaryl or cycloalkyl, or R6 and R6a together with the nitrogen to which they are attached form an annelated five, six or seven membered heterocycle which may contain 1 to 4 heteroatoms in the ring which are N, O, S, SO, and/or SO2. A method is also provided for treating diabetes and related diseases employing an SGLT2 inhibiting amount of the above complex alone or in combination with another antidiabetic agent or other therapeutic agent.

  结晶复合物由天然氨基酸（(D) 或 (L) 对映异构体）与化合物（I）以 1:1 或 2:1 的比例混合得到，其中 R1、R2 和 R2a 独立地为氢、羟基、OR5、烷基、-OCHF2、-OCF3、-SR5a 或卤素；R3 和 R4 独立地为氢、羟基、OR5b、烷基、环烷基、CF3、-OCHF2、-OCF3、卤素、-CONR6R6a、-CO2R5c、-CO2H、-COR6b、-CH(OH)R6c、-CH(OR5d)R6d、-CN、-NHCOR5e、-NHSO2R5f、-NHSO2Aryl、-SR5g、-SOR5h、-SO2R5i 或包含 1 至 4 个杂原子（如 N、O、S、SO 和/或 SO2）的五元、六元或七元杂环；R3 和 R4 与它们所连接的碳原子一起形成包含 1 至 4 个杂原子（如 N、O、S、SO 和/或 SO2）的五元、六元或七元环状碳环或杂环；R5、R5a、R5b、R5c、R5d、R5e、R5f、R5g、R5h 和 R5i 独立地为烷基；R6、R6a、R6b、R6c 和 R6d 独立地为氢、烷基、芳基、烷芳基或环烷基，或 R6 和 R6a 与它们所连接的氮原子一起形成包含 1 至 4 个杂原子（如 N、O、S、SO 和/或 SO2）的五元、六元或七元杂环。 此外，还提供了一种使用上述复合物作为 SGLT2 抑制剂（单独或与另一种抗糖尿病药物或其他治疗药物联用）治疗糖尿病及其相关疾病的方法。