cyclohexyl orthotitanate | 861887-46-9

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: cyclohexyl orthotitanate
• 英文别名: tetrakis(cyclohexyloxo)titanium(IV)；tetrakis(cyclohexyloxy)titanium；titanium cyclohexyloxide；Titanium cyclohexan-1-olate (1:4)；cyclohexanolate;titanium(4+)
• CAS: 861887-46-9
• 化学式: C₂₄H₄₄O₄Ti
• 分子量: 444.491
• InChiKey: GHRBKUMCCNCPKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  29
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  92.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cyclohexyl orthotitanate 、 四氯化钛 以 正己烷 为溶剂， 生成
  参考文献：
  名称：

  Modification of alkoxo ligands of BINOL–Ti ladder: Isolation and X-ray crystallographic analysis

  摘要：

  The stable binaphthol-titanium ladder complexes have been successfully prepared by using bulky alkoxo ligands. From the secondary OR ligand (cyclohexyloxo, 2,4-dimethyl-3-pentyloxo or 2-adamantyloxo) and terially OR ligand (tert-butyloxo, 1-adamantyloxo), partial hydrolysis proceeded to give the mu(3)-oxo titanium complexes. The use of [Ti(BINOLato)(OEt)(2)](n), made it possible to prepare the Ti(BINOLato)(OR)2 complexes using alcohols (ROH) of high boiling point (R = cyclohexyl, 2-adamantyl, 1-adamantyl). X-ray analyses of [(R)-1, 1'-bi-2-naphtholato]bis(O-2,4-dimethyl-3-pentyloxo)titanium and [(R)-3,3'-dimethyl-naphtholato]bis(2-adamant- yloxo)titanium showed a good agreement with the estimated ladder complexes. The catalytic activity of BINOL-Ti catalyst analogues, obtained by partial hydrolysis of Ti(BINOLato)(OR)(2) with wet MS 4A was studied in asymmetric glyoxylate-ene reaction by two methods. Moderate to good chemical yields and enantioselectivities were obtained. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.11.052
• 作为产物：
  描述：

  tetramethoxytitanium 、 环己醇 以 甲苯 为溶剂， 生成 cyclohexyl orthotitanate
  参考文献：
  名称：

  [EN] IMIDAZO-PYRAZOLES AS GPR119 INHIBITORS
  [FR] IMIDAZO-PYRAZOLES COMME INHIBITEURS DU GPR119

  摘要：

  式(I)的化合物中：X为(A)或(B)；Y为O或键；R1为-C(O)-O-R3或R2为氢、氰基、C1-C6烷基或C3-C6环烷基；R5为氢、氰基、硝基、C1-C6氟代烷基、C1-C6烷基、C1-C6烷氧基、C1-C6氟代烷氧基或C3-C6环烷基；R6为氢、C1-C6烷基、C3-C6环烷基、-C(O)-NH2或C1-C6烷基取代的羟基或C1-C6烷氧基；m为1或2，当m为1时，则R8为氢、C1-C6烷基、-CH2-(C1-C5)卤代烷基、C3-C6环烷基或C1-C6烷基取代的羟基；当m为2时，则每个R8独立地为C1-C3烷基或-CH2-(C1-C2)卤代烷基；调节G蛋白偶联受体GPR119的活性及其在治疗与动物体内G蛋白偶联受体GPR119调节相关疾病中的用途。

  公开号：

  WO2011061679A1
• 作为试剂：
  描述：

  乙酸甲酯 、 乙基溴化镁 在 cyclohexyl orthotitanate 、 硫酸 、 水 作用下， 以 乙醚 为溶剂， 反应 3.25h， 生成 1-甲基1-环丙醇
  参考文献：
  名称：

  [EN] GPR 119 MODULATORS
  [FR] MODULATEURS DU GPR119

  摘要：

  本文描述了化合物的化学式（I），这些化合物调节G-蛋白偶联受体GPFM 19的活性，并且它们在治疗与动物中G-蛋白偶联受体GPR119调节相关的疾病中的用途。

  公开号：

  WO2010128414A1

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY<br/>[FR] COMPOSÉS ET COMPOSITIONS COMME MODULATEURS D'ACTIVITÉ DE GPR119
  申请人：IRM LLC

  公开号：WO2009105717A1

  公开（公告）日：2009-08-27

  The invention provides compounds of Formula (I): pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with the activity of GPR119.

  该发明提供了Formula (I)的化合物：包括这些化合物的药物组合物以及使用这些化合物治疗或预防与GPR119活性相关的疾病或疾病的方法。
• [EN] 4-PHENOXYMETHYLPIPERIDINES AS MODULATORS OF GPR119 ACTIVITY<br/>[FR] 4-PHÉNOXYMÉTHYLPIPÉRIDINES COMME MODULATEURS DE L'ACTIVITÉ DE GPR119
  申请人：IRM LLC

  公开号：WO2010006191A1

  公开（公告）日：2010-01-14

  The present invention provides compounds of Formula I, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent; diseases or disorders associated with the activity of GPR119.

  本发明提供了一种具有I式化合物的药物组合物，以及使用这种化合物来治疗或预防与GPR119活性相关的疾病或紊乱的方法。
• Solid State Structures and Solution Behavior of Titanium(IV) Octahydrobinaphtholate Complexes. Examination of Nonlinear Behavior in the Asymmetric Addition of Ethyl Groups to Benzaldehyde
  作者：Karen M. Waltz、Patrick J. Carroll、Patrick J. Walsh

  DOI：10.1021/om034107h

  日期：2004.1.1

  just over 2°. Upon dissolving dimers (meso)-6 and (meso)-7, equilibria between the homo- and heterochiral dimers were observed. Reaction of H8-BINOL with an excess of titanium tetraisopropoxide provided crystals of the dinuclear complex [(H8-BINOLate)Ti(O-i-Pr)2]·Ti(O-i-Pr)4 (8). Likewise, reaction of 2 equiv of Ti(OCy)4 (Cy = cyclohexyl) with H8-BINOL furnished [(H8-BINOLate)Ti(OCy)2]·Ti(OCy)4 (9)

  在一些不对称反应中，H 8 -BINOL基催化剂（H 8 -BINOL = 5,5'，6,6'，7,7'，8,8'-八氢-1,1'-bi-2-萘酚）与基于BINOL的类似催化剂相比，具有更高的对映选择性。因此，进行了由H 8 -BINOL和BINOL制备的钛配合物的结构比较。（rac）-H 8 -BINOL与1当量的四异丙氧基钛反应导致形成二聚体（meso）-[（H 8 -BINOLate）Ti（O- i -Pr）2 ] 2 [（meso）-6]，通过结晶学表征。以类似的方式，使用（rac）-BINOL导致形成二聚体（内消旋）-[（BINOLate）Ti（O- i- Pr）2 ] 2 [（内消旋）-7 ]。这些配合物中H 8 -BINOLate和BINOLate配体的芳环之间的扭转角分别为63.2（5）°和55.7（4）°。H 8 -BINOLate配体的较大扭转角导致配体的咬合角增加了刚
• Tsvetkov, V. F.; Likhomanenko, V. A.; Pisareva, V. S., Journal of applied chemistry of the USSR, 1983, vol. 56, p. 1036 - 1039
  作者：Tsvetkov, V. F.、Likhomanenko, V. A.、Pisareva, V. S.、Korzhova, N. V.、Kazantsev, V. M.、et al.

  DOI：——

  日期：——
• Modification of alkoxo ligands of BINOL–Ti ladder: Isolation and X-ray crystallographic analysis
  作者：Koichi Mikami、Yousuke Matsumoto、Ling Xu

  DOI：10.1016/j.ica.2005.11.052

  日期：2006.10

  The stable binaphthol-titanium ladder complexes have been successfully prepared by using bulky alkoxo ligands. From the secondary OR ligand (cyclohexyloxo, 2,4-dimethyl-3-pentyloxo or 2-adamantyloxo) and terially OR ligand (tert-butyloxo, 1-adamantyloxo), partial hydrolysis proceeded to give the mu(3)-oxo titanium complexes. The use of [Ti(BINOLato)(OEt)(2)](n), made it possible to prepare the Ti(BINOLato)(OR)2 complexes using alcohols (ROH) of high boiling point (R = cyclohexyl, 2-adamantyl, 1-adamantyl). X-ray analyses of [(R)-1, 1'-bi-2-naphtholato]bis(O-2,4-dimethyl-3-pentyloxo)titanium and [(R)-3,3'-dimethyl-naphtholato]bis(2-adamant- yloxo)titanium showed a good agreement with the estimated ladder complexes. The catalytic activity of BINOL-Ti catalyst analogues, obtained by partial hydrolysis of Ti(BINOLato)(OR)(2) with wet MS 4A was studied in asymmetric glyoxylate-ene reaction by two methods. Moderate to good chemical yields and enantioselectivities were obtained. (c) 2005 Elsevier B.V. All rights reserved.