2,3,4,7-tetramethylindanone | 166601-16-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2,3,4,7-tetramethylindanone
• 英文别名: 2,3,4,7-tetramethyl-1-indanone；2,3,4,7-tetramethyl-2,3-dihydroinden-1-one
• CAS: 166601-16-7
• 化学式: C₁₃H₁₆O
• 分子量: 188.269
• InChiKey: JXRSVWUWVNRRJO-UHFFFAOYSA-N

物化性质

• 沸点：
  294.7±40.0 °C(Predicted)
• 密度：
  1.003±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  2,3,4,7-tetramethylindanone 在 三氯化铝 作用下， 以 二硫化碳 、 Petroleum ether 为溶剂， 反应 23.0h， 生成 (2S,3R)-2,3,4,5,6,7,8-Heptamethyl-3,7-dihydro-2H-s-indacen-1-one
  参考文献：
  名称：

  Synthesis and structures of organometallic derivatives of 1,2,3,4,5,6,7,8-octamethyl-1,5-dihydro-s-indacene

  摘要：

  DOI：

  10.1039/a703598e
• 作为产物：
  描述：

  (E)-2-甲基-2-丁烯酰氯 、 对二甲苯 在 三氯化铝 作用下， 以 二硫化碳 为溶剂， 反应 1.0h， 以48%的产率得到2,3,4,7-tetramethylindanone
  参考文献：
  名称：

  桥联锆茂催化剂的晶体结构和丙烯聚合特性

  摘要：

  介绍了四种桥联二茂锆二氯化物的合成，晶体结构和丙烯聚合行为。所有催化剂均能够进行全同立构丙烯聚合。在桥接的双（茚基）锆茂二氯化物的2-，4-和7-位处引入甲基取代。烯基环的7位上的甲基取代基引起与桥连基团的显着的空间相互作用。在比较2,4,7-甲基取代的催化剂与未取代的对应物时，仅亚乙基桥连催化剂外消旋-1,2-亚乙基-双（2,4,7-三甲基-1-茚基）二氯化锆（4）强制进入等规丙烯聚合的最佳几何形状。由于桥接催化剂4的空间体积大对于异戊二烯环和金属中心的运动而言，其具有非常强的刚性，因此即使在高聚合温度下也能产生高度等规的聚丙烯。分子力学计算和温度相关的NMR测量表明，催化剂4无法像相应的rac -1,2-亚乙基-双（-1-茚基）二氯化锆（3）一样在λ和δ构象态之间达到平衡。。在催化剂异亚丙基（（3-叔丁基）环戊二烯基-9-芴基）二氯化锆（6）上，在3位上的取代将对称性从C s改变为C

  DOI：

  10.1016/0022-328x(95)00123-8

文献信息

• New cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions
  申请人：Evonik Degussa GmbH

  公开号：EP1894938A1

  公开（公告）日：2008-03-05

  The invention is directed to a phosphine compound represented by general formula (1) wherein R' and R" independently are selected from alkyl, cycloalkyl and 2-furyl radicals, or R' and R" are joined together to form with the phosphorous atom a carbon-phosphorous monocycle comprising at least 3 carbon atoms or a carbon-phosphorous bicycle; the alkyl radicals, cycloalkyl radicals, and carbon-phosphorous monocycle being unsubstituted or substituted by at least one radical selected from the group of alkyl, cycloalkyl, aryl, alkoxy, and aryloxy radicals; Cps is a partially substituted or completely substituted cyclopentadien-1-yl group, including substitutions resulting in a fused ring system, and wherein a substitution at the 1-position of the cyclopentadien-1-yl group is mandatory when the cyclopentadien-1-yl group is not part of a fused ring system or is part of an indenyl group. Also claimed is the use of these phosphines as ligands in catalytic reactions and the preparation of these phosphines.

  该发明涉及一种由通式（1）表示的膦化合物 其中 R'和R"独立地选自烷基、环烷基和2-呋喃基，或者R'和R"结合在一起与磷原子形成至少含有3个碳原子的碳-磷单环或碳-磷双环；所述烷基基团、环烷基基团和碳-磷单环未取代或取代，所述取代包括来自烷基、环烷基、芳基、烷氧基和芳氧基基团中至少一个基团的选择； Cps是部分取代或完全取代的环戊二烯-1-基团，包括导致融合环系统的取代，当环戊二烯-1-基团不是融合环系统的一部分或是茚基团的一部分时，环戊二烯-1-基团的1-位取代是强制的。还声明了这些膦化合物作为催化反应中的配体以及这些膦化合物的制备的用途。
• Synthesis, stereochemistry, bonding and fluxionality of 2-(inden-3-yl)phenols and their cyclopentadienyl titanium derivatives
  作者：Luke E. Turner、Matthew G. Thorn、R. D. Swartz II、Robert W. Chesnut、Phillip E. Fanwick、Ian P. Rothwell

  DOI：10.1039/b310415j

  日期：——

  for 1,2-dimethyl derivative 9. Hence, it appears that replacement of the phenolic proton by the much bulkier [CpTiCl2] unit destabilizes the (aS,R) and (aR,S) forms in solution. Attempted de-protonation of the inden-3-yl ring in 7 by treatment with n-BuLi or MeLi did not lead to the formation of chelate rings. Instead formation of a Ti(III) dinuclear compound 11 and dimethyl derivative 12 occurred. The

  酚试剂2-（茚满-3-基）-4,6-二叔丁基苯酚（1）及其2-甲基（2），1,2-二甲基（3），2,4,7-三甲基已获得（4）和1,2,4,7-四甲基（5）衍生物。的固态结构2，3和4已经通过X射线衍射和扭转角的57，61和79（乙烯基和苯氧基环之间）确定°测量。（a R）和（a S）形式的配体均以固态存在。解决方案1 H NMR光谱表明，对于下列条件，围绕茚基-苯氧基键的旋转很容易类似于图1，但是2-甲基取代基的引入导致在NMR时间尺度上旋转受限。在分析的3的晶体中，仅存在（a S，S）和（a R，R）形式，其中1-甲基指向OH基。在3和5的1 H和13 C NMR光谱中，有两个相等强度的信号集。因此，两个非对映异构形式存在于等浓度在溶液中和两个尖锐ö ħ单峰被观察到3中，即使在130℃ p二甲苯-d 10。在吡啶存在下，酚1–4与[CpTiCl 3 ]的反应先前已经生成了相应的单芳基氧
• CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS
  申请人：Plenio Herbert

  公开号：US20090253907A1

  公开（公告）日：2009-10-08

  A phosphine compound represented by general formula (1) wherein R′ and R″ independently are selected from alkyl, cycloalkyl and 2-furyl radicals, or R′ and R″ are joined together to form with the phosphorous atom a carbon-phosphorous monocycle including at least 3 carbon atoms or a carbon-phosphorous bicycle; the alkyl radicals, cycloalkyl radicals, and carbon-phosphorous monocycle being unsubstituted or substituted by at least one radical selected from the group of alkyl, cycloalkyl, aryl, alkoxy, and aryloxy radicals; Cp s is a partially substituted or completely substituted cyclopentadien-1-yl group, including substitutions resulting in a fused ring system, and wherein a substitution at the 1-position of the cyclopentadien-1-yl group is mandatory when the cyclopentadien-1-yl group is not part of a fused ring system or is part of an indenyl group. These phosphines can be used as ligands in catalytic reactions.

  一种磷化合物，其通式表示为（1），其中R'和R''独立地选择烷基，环烷基和2-呋喃基基团，或者R'和R''与磷原子结合形成至少包括3个碳原子的碳-磷单环或碳-磷双环；烷基基团，环烷基基团和碳-磷单环未经取代或被至少一种从烷基，环烷基，芳基，烷氧基和芳氧基基团组成的基团取代；Cps是部分取代或完全取代的环戊二烯-1-基基团，包括导致融合环系统的取代，当环戊二烯-1-基基团不是融合环系统的一部分或是一个茚基基团的一部分时，必须在环戊二烯-1-基基团的1位进行取代。这些磷化物可以用作催化反应中的配体。
• New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and their Use in Catalytic Reactions
  申请人：PLENIO Herbert

  公开号：US20120245348A1

  公开（公告）日：2012-09-27

  Disclosed herein are phosphine compounds represented by the general formula (4): and corresponding phosphonium salts represented by the general formula (4a): Also disclosed are processes for the preparation of these phosphines and phosphonium salts as well as their use as ligands in catalytic reactions.

  本文披露了由一般式（4）表示的膦化合物和由一般式（4a）表示的相应膦鎵鹽，同时还披露了制备这些膦化合物和膦鎵鹽的过程，以及它们作为催化反应中的配体的用途。
• New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and Their Use in Catalytic Reactions
  申请人：Evonik Degussa GmbH

  公开号：US20140058101A1

  公开（公告）日：2014-02-27

  The invention is directed to a phosphine compound represented by general formula (1) wherein R′ and R″ independently are selected from alkyl, cycloalkyl and 2-furyl radicals, or R′ and R″ are joined together to form with the phosphorous atom a carbon-phosphorous monocycle comprising at least 3 carbon atoms or a carbon-phosphorous bicycle; the alkyl radicals, cycloalkyl radicals, and carbon-phosphorous monocycle being unsubstituted or substituted by at least one radical selected from the group of alkyl, cycloalkyl, aryl, alkoxy, and aryloxy radicals; Cp s is a partially substituted or completely substituted cyclopentadien-1-yl group, including substitutions resulting in a fused ring system, and wherein a substitution at the 1-position of the cyclopentadien-1-yl group is mandatory when the cyclopentadien-1-yl group is not part of a fused ring system or is part of an indenyl group. Also claimed is the use of these phosphines as ligands in catalytic reactions and the preparation of these phosphines.

  本发明涉及一种磷化合物，其通式表示为（1），其中R'和R"独立地选择为烷基，环烷基和2-呋喃基基团，或者R'和R"与磷原子结合形成至少包含3个碳原子的碳-磷单环或碳-磷双环；烷基基团，环烷基基团和碳-磷单环未被取代或被至少一种从烷基，环烷基，芳基，烷氧基和芳氧基基团中选择的基团取代；Cp是部分取代或完全取代的环戊二烯-1-基基团，包括导致融合环系统的取代，当环戊二烯-1-基基团不是融合环系统的一部分或是茚基团的一部分时，必须在环戊二烯-1-基基团的1位进行取代。还声明了这些磷化物作为催化反应中的配体以及这些磷化物的制备的用途。