| 86129-36-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 86129-36-4
• 化学式: C₄H₁₀O*C₆H₅Li
• 分子量: 158.169
• InChiKey: HLOYQSVQZPATBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.52
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (1,1'-ferrocenediyl(NSitBuMe₂)₂)LuI(thf)₂ 、 以 乙醚 为溶剂， 以42.5%的产率得到(NN^fc)Lu(C₆H₅)(tetrahydrofuran)₂
  参考文献：
  名称：

  Bimetallic Cleavage of Aromatic C–H Bonds by Rare-Earth-Metal Complexes

  摘要：

  A new type of C-H bond activation mediated by rare-earth metals under reducing conditions is reported. The synergy between reductants and rare-earth-metal complexes allows the cleavage of unactivated aromatic C-H bonds. The reaction between rare-earth-metal iodides supported by a 1,1'-ferrocenediamide ligand and potassium graphite in benzene leads to the formation of a 1:1 metal molar ratio of the corresponding metal hydride and metal phenyl complex. A proposed mechanism involving an inverse sandwich arene bimetallic intermediate is supported by experimental and computational studies.

  DOI：

  10.1021/ja510761j
• 作为产物：
  描述：

  碘苯 、 乙醚 在 正丁基锂 作用下， 反应 0.5h， 生成
  参考文献：
  名称：

  Bimetallic Cleavage of Aromatic C–H Bonds by Rare-Earth-Metal Complexes

  摘要：

  A new type of C-H bond activation mediated by rare-earth metals under reducing conditions is reported. The synergy between reductants and rare-earth-metal complexes allows the cleavage of unactivated aromatic C-H bonds. The reaction between rare-earth-metal iodides supported by a 1,1'-ferrocenediamide ligand and potassium graphite in benzene leads to the formation of a 1:1 metal molar ratio of the corresponding metal hydride and metal phenyl complex. A proposed mechanism involving an inverse sandwich arene bimetallic intermediate is supported by experimental and computational studies.

  DOI：

  10.1021/ja510761j

文献信息

• Tri- and Tetravalent Titanium Alkyls Supported by Organic Amides
  作者：Ravinder K. Minhas、Ludmila Scoles、Shirley Wong、Sandro Gambarotta

  DOI：10.1021/om9508288

  日期：1996.2.20

  ligand replacement reactions. Oxidation of 12 with diphenylfulvene gave (Me3Si)2N}2Ti(CH2Ph)2 (13). All these compounds are thermally labile and yielded intractable materials upon thermolysis. Only in the case of the neophyl derivative (Cy2N)2Ti(CH2CMe2C6H5)2 (8) a cyclometalated compound (Cy2N)2Ti(CH2CMe2C6H4) (10) was isolated and crystallized from the thermolyzed solution. The reaction of 1 with styrene

  三价[（Cy 2 N）2 Ti（μ-Cl）2 Li（TMEDA）]（1）和四价[（Cy 2 N）2 TiCl 2 ]（5）与R'Li在THF或二乙基中的反应醚，得到的Ti（IV）络合物（CY 2 N）2 TIR ' 2 [R'= CH 2 CME 3（7），CH 2 CME 2 Ph（上8），CH 2森达3（9）]。相反，1，[ i -Pr）2N} 2 TiCl 2 ] [Li（TMEDA）2 ]（2）和[（Me 3 Si）2 N} 2 TiCl 2 ] [Li（TMEDA）2 ]（3）具有R'Li [R'= Me，Ph，CH 2 Ph]得到相应的三价衍生物[（Cy 2 N）2 Ti（μ-Bz）2 Li（TMEDA）]（4a），[（Cy 2 N）2 Ti（μ-Me）2 Li（TMEDA）]（4b），[（i- Pr）2 N} 2 TiPh 2 ] [Li（TMEDA）2 ]（11）和[（Me
• Stabilized Terphenyl-Substituted Digermene Derivatives of Simple Organic Groups and Their Halide Precursors:  Preference for Symmetrically Bonded Structures
  作者：Matthias Stender、Lihung Pu、Philip P. Power

  DOI：10.1021/om001077z

  日期：2001.4.1

  The reaction of 1 equiv of MeMgBr, EtMgBr, or LiPh with Ge(Cl)C6H3-2,6-Trip2 (1; Trip = C6H2-2,4,6-i-Pr3) in diethyl ether solution afforded the dimers Ge(R)C6H3-2,6-Trip2}2 (R = Me (2), Et (3), Ph (4)), which have trans-bent Ge−Ge-bonded structures that are maintained in solution. The compounds 2 and 3 are rare examples of “digermene” species having alkyl substituents. The previously described halide

  1个当量的MeMgBr，将EtMgBr，或LIPH的与葛（CL）C反应6 ħ 3 -2,6-旅行2（1 ;跳闸= C 6 H ^ 2 -2,4,6-我-Pr 3）在乙醚溶液提供二聚体Ge（R）C 6 H 3 -2,6-Trip 2 } 2（R = Me（2），Et（3），Ph（4）），其具有反式的Ge-保持在溶液中的锗键结构。化合物2和3是具有烷基取代基的“ digermene”种类的罕见实例。发现前述卤化物前体1同时以V形单体和弱Ge-Ge键合的二聚体Ge（Cl）C 6 H 3 -2,6-Trip 2 } 2（5）结晶。易溶于烃溶液中的单体。该物质容易与吡啶（py）反应形成单体1：1加合物py·Ge（Cl）C 6 H 3 -2,6-Trip 2（7），该锗在锗上具有锥体配位作用。发现对于二聚结构2 - 4分别形成鲜明对比为他们的锡和铅类似物，其显示或者非对称二聚结构为2,6-旅行最近公布的结果2
• Fragrance composition containing 3-(3-hexenyl)-2-cyclopentenone
  申请人：Takasago International Corporation

  公开号：US20030158080A1

  公开（公告）日：2003-08-21

  An excellent fragrance compound having high palatability. A 3-(3-hexenyl)-2-cyclopentenone represented by a general formula (1) 1 (wherein wavy line represents a double bond cis-form and/or trans-form) is used as an active ingredient of scent and mixed in a small amount with fragrance compositions, cis-jasmone and/or various materials to be scented. Since the above compound has a characteristic fragrance quality and high palatability, it is markedly useful as a scenting component of various fragrances and cosmetics, sanitation materials and the like.

  一种具有高口感度的优良香精化合物。一种由一般式（1）1表示的3-（3-己烯基）-2-环戊酮（其中波浪线表示双键的顺式和/或反式）被用作香气的活性成分，并与香料组分、顺式茉莉酮和/或各种需要调香的材料混合一小部分。由于上述化合物具有独特的香气质量和高口感度，因此它在各种香料和化妆品、卫生材料等的调香成分中具有显著的实用性。
• Fragrance composition containing 3-(3-Hexenyl)-2-cyclopentenone
  申请人：Takasago International Corporation

  公开号：EP1321508A2

  公开（公告）日：2003-06-25

  An excellent fragrance compound having high palatability. A 3- (3-hexenyl)-2-cyclopentenone represented by a general formula (1) (wherein wavy line represents a double bond cis-form and/or trans-form) is used as an active ingredient of scent and mixed in a small amount with fragrance compositions, cis-jasmone and/or various materials to be scented. Since the above compound has a characteristic fragrance quality and high palatability, it is markedly useful as a scenting component of various fragrances and cosmetics, sanitation materials and the like.

  一种具有高适口性的优良香料化合物。由通式（1）代表的 3-（3-己烯基）-2-环戊烯酮（其中波浪线代表双键顺式和/或反式）用作香味活性成分，并与香料组合物少量混合。 (其中波浪线代表顺式和/或反式双键）作为香味的活性成分，并与香料组合物、顺式茉莉酮和/或各种需要香味的材料少量混合。由于上述化合物具有独特的香味品质和较高的适口性，因此可作为各种香料和化妆品、卫生材料等的香味成分。
• HETEROPOLYCYCLIC COMPOUND AND DYE
  申请人：Kochi University

  公开号：EP1717276B1

  公开（公告）日：2010-12-29