2,2,4,4-四甲基-1,5-二苯基-戊烷-3-酮 | 153339-36-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,2,4,4-四甲基-1,5-二苯基-戊烷-3-酮
• 英文名称: 2,2,4,4-tetramethyl-1,5-diphenyl-pentan-3-one
• 英文别名: 2,2,4,4-Tetramethyl-1,5-diphenyl-pentan-3-on；symm. Tetramethyl-dibenzyl-aceton；γ-Oxo-β.β.δ.δ-tetramethyl-α.ε-diphenyl-pentan；2,2,4,4-Tetramethyl-1,5-diphenylpentan-3-one
• CAS: 153339-36-7
• 化学式: C₂₁H₂₆O
• 分子量: 294.437
• InChiKey: DSMGZPCPFWMLIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2,4,4-四甲基-1,5-二苯基-戊烷-3-酮 在 sodium amide 、 xylene 作用下， 生成 异丁基苯
  参考文献：
  名称：

  Haller; Bauer, Annales de Chimie (Cachan, France), 1914, vol. <9> 1, p. 28

  摘要：

  DOI：
• 作为产物：
  描述：

  1,5-二苯基-3-戊酮 、 碘甲烷 在 乙醚 、 sodium amide 作用下， 生成 2,2,4,4-四甲基-1,5-二苯基-戊烷-3-酮
  参考文献：
  名称：

  Haller, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1912, vol. 154, p. 558

  摘要：

  DOI：

文献信息

• Catalyst for asymmetric (transfer) hydrogenation
  申请人：——

  公开号：US20030199713A1

  公开（公告）日：2003-10-23

  Catalyst for the asymmetric (transfer) hydrogenation represented by the formula ML a X b S c , where M is a transition metal, to be chosen from rhodium and ruthenium, and X is a counter ion and S is a ligand, a ranges from 0.5 to 3 and b and c, each independently, range from 0 to 2, and L is a chiral ligand having the formula (1), where C n together with the two 2 O-atoms and the P-atom forms a substituted or non-substituted ring with 2-4 C-atoms, R 1 and R 2 each independently represent H, an optionally substituted alkyl, aryl, alkaryl or aralkyl group or may form a (heterocyclic) ring together with the N-atom to which they are bound. And a process for the asymmetric (transfer) hydrogenation of an olefinically unsaturated compound, ketone, imine or oxime derivate in the presence of a hydrogen donor and of a catalyst, use being made of a catalyst represented by formula ML a X b S c , where M is a transition metal, to be chosen from rhodium, iridium and ruthenium, X is a counter ion, S is a ligand, a ranges from 0.5 to 3 and b and c range from 0 to 2, and L is a chiral ligand having the formula (1), where C n together with the two 2 O-atoms and the P-atom forms a substituted or non-substituted ring with 2-4 C-atoms; and R 1 and R 2 are as defined above.

  催化剂用于不对称（转移）氢化反应，其表示为M为过渡金属，可选自铑和钌，X为反离子，S为配体，a范围为0.5至3，b和c各自独立地范围为0至2，L为手性配体，其化学式为（1），其中Cntogether与两个氧原子和磷原子形成具有2-4个碳原子的取代或非取代环，R1和R2各自独立地代表氢，或可选地取代的烷基，芳基，烷芳基或芳烷基，或者与它们结合的氮原子一起形成（杂环）环。一种用于不对称（转移）氢化烯烃不饱和化合物，酮，亚胺或肟衍生物的方法，在氢供体和催化剂存在下进行，所用催化剂的化学式为MLaXbSc，其中M为过渡金属，可选自铑，铱和钌，X为反离子，S为配体，a范围为0.5至3，b和c范围为0至2，L为手性配体，其化学式为（1），其中Cntogether与两个氧原子和磷原子形成具有2-4个碳原子的取代或非取代环；R1和R2如上所定义。
• Chiral Compound Suitable as a Catalyst for Asymmetric Transfer Hydrogenation
  申请人：Vries De Johannes Gerardus (Hans)

  公开号：US20080269529A1

  公开（公告）日：2008-10-30

  The invention relates to an enantiomerically enriched chiral compound comprising a transition metal M, which comprises four, five or six coordinating groups of which at least one pair is linked together to form a bidentate ligand, in which M is directly bound via one single σ-bond to a carbon atom of an optionally substituted and/or optionally fused (hetero)aromatic ring of said bidentate ligand and in which M is directly bound to a nitrogen atom of a primary or secondary amino group of said bidentate ligand, thereby forming a metallacycle between said bidentate ligand and the metal M, said metal M being selected from the metals of groups 8 and 9 of the Periodic Table of the Elements, in particular iron, ruthenium, osmium, cobalt, rhodium, or iridium. The chiral compound can be used as a catalyst, preferably in an asymmetric transfer hydrogenation process. The invention further relates to a process for an asymmetric transfer hydrogenation of a prochiral compound in the presence of a hydrogen donor and the chiral compound of the invention comprising a transition metal chosen from the metals of groups 8, 9 and 10 of the Periodic Table, in particular iron, ruthenium, osmium, cobalt, rhodium, iridium, nickel, palladium or platinum as the catalyst.

  本发明涉及一种手性化合物，其中包含过渡金属M，该金属包含四个、五个或六个配位基团，其中至少一对基团连接在一起形成双齿配体。在该双齿配体的一个可选取代和/或可选融合的(杂)芳香环的碳原子上，M通过一个单一的σ键直接结合，并且M直接与双齿配体的一级或二级氨基团的氮原子结合，从而在双齿配体和金属M之间形成一个金属环。所述金属M选自元素周期表第8和第9组的金属，特别是铁、钌、锇、钴、铑或铱。该手性化合物可用作催化剂，优选在不对称转移氢化过程中使用。本发明还涉及一种在氢供体和来自元素周期表第8、9和10组的金属中选择的过渡金属，特别是铁、钌、锇、钴、铑、铱、镍、钯或铂作为催化剂的不对称转移氢化的过程。
• Haller; Bauer, Annales de Chimie (Cachan, France), 1913, vol. <8> 28, p. 407
  作者：Haller、Bauer

  DOI：——

  日期：——
• CATALYST FOR ASYMMETRIC (TRANSFER) HYDROGENATION
  申请人：DSM N.V.

  公开号：EP1325013A2

  公开（公告）日：2003-07-09
• CHIRAL COMPOUND SUITABLE AS A CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION
  申请人：DSM IP Assets B.V.

  公开号：EP1824868A1

  公开（公告）日：2007-08-29