2,2,11,11-Tetramethyl-dodeca-3,9-diyne | 63873-31-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 2,2,11,11-Tetramethyl-dodeca-3,9-diyne
• 英文别名: 2,2,11,11-Tetramethyldodeca-3,9-diyne
• CAS: 63873-31-4
• 化学式: C₁₆H₂₆
• 分子量: 218.382
• InChiKey: JDUIFNIWSNGPIZ-UHFFFAOYSA-N

物化性质

• 沸点：
  284.4±23.0 °C(Predicted)
• 密度：
  0.842±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,2,11,11-Tetramethyl-dodeca-3,9-diyne 在 二氯二茂锆 、 magnesium 、 mercury dichloride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以65%的产率得到(E,E)-1,2-bis(neopentylidene)cyclohexane
  参考文献：
  名称：

  二乙炔环化为 E,E 环外二烯。基于钛和锆试剂的补充程序

  摘要：

  La cyclisation intramoleculaire de composes diyniques a ete effectuee en utilisant l'une des combinaisons de reactifs: Cp 2 TiCl 2 /PMePh 2 /Na(Hg) ou Cp 2 ZrCl 2 /Mg/HgCl 2

  DOI：

  10.1021/ja00243a036

文献信息

• Cooperative Iron–Oxygen–Copper Catalysis in the Reduction of Benzaldehyde under Water-Gas Shift Reaction Conditions
  作者：Arundhoti Chakraborty、R. Garrison Kinney、Jeanette A. Krause、Hairong Guan

  DOI：10.1021/acscatal.6b01994

  日期：2016.11.4

  for the reduction of PhCHO under water-gas shift conditions; 4a exhibits higher activity than 4b/4b′. Control experiments with monometallic species establish the cooperativity between a bifunctional iron fragment and a copper fragment during the catalytic reaction. A mechanistic investigation including stoichiometric reactions, various control experiments, and labeling studies has led to the proposal

  两铁铜双核配合物已经从（环戊二烯酮）铁配合物的反应合成2,5-（EME 3）2 -3,4-（CH 2）4（η 4 -C 4 C = O）} Fe（CO）3（E = Si，1a ; E = C，1b）与（IPr）CuOH（IPr = 1,3-双（二异丙基苯基）咪唑-2-亚烷基）。X-射线结晶研究表明，这些配合物通过设有可以由下式描述的桥接氢化物的结构2,5-（EME 3）2 -3,4-（CH 2）4（η 4 -C 4 Ç ═O）}（CO）2Fe（μ-H）Cu（IPr）（E = Si，4a '; E = C，4b '）。当它们溶解在甲苯，THF或环己烷中时，这些络合物形成4a '或4b '与末端氢化铁2,5-（EMe 3）2 -3,4-（CH 2）的快速平衡的异构体混合物4（η 5 -C 4 COCuIPr）}的Fe（CO）2 H（E =硅，4A ; E = C，图4b）。Me 3 Si
• Reaction of Zirconocene Ethylene Complex with Diynes. Formation of Bridged Zirconacyclopentenes
  作者：Tamotsu Takahashi、Kayoko Kasai、Zhenfeng Xi、Victor Denisov

  DOI：10.1246/cl.1995.347

  日期：1995.5

  Reactions of diynes RCC-X-CCR with zirconocene ethylene complex Cp2Zr(CH2=CH2) were investigated. When X was C6H4 or C4H2S, bridged zirconacyclopentenes were selectively formed. They were easily converted into bridged cyclopentenone derivatives. In the case of (CH2)n groups as X, the reaction products were strongly dependent on the R group.

  研究了二炔类化合物 RCC-X-CCR 与二茂锆乙烯络合物 Cp2Zr(CH2=CH2) 的反应。当 X 为 C6H4 或 C4H2S 时，选择性地形成了桥接的锆环戊烯。它们很容易转化为桥式环戊烯酮衍生物。当 X 为 (CH2)n 基团时，反应产物在很大程度上取决于 R 基团。
• Convenient preparative method of α,β-disubstituted cyclopentenone by zirconium promoted intermolecular coupling of an alkyne, EtMgBr (or ethylene) and CO
  作者：Tamotsu Takahashi、Zhenfeng Xi、Yasushi Nishihara、Shouquan Huo、Kayoko Kasai、Koichiro Aoyagi、Victor Denisov、Ei-ichi Negishi

  DOI：10.1016/s0040-4020(97)00612-1

  日期：1997.7

  Treatment of Cp2ZrCl2 with 2 equiv of EtMgBr in THF, followed by addition of an internal alkyne and subsequent treatment with CO/I-2 gave alpha,beta-disubstituted cyclopentenone in good to high yields. When a conjugated enyne was used as an alkyne component, alpha-alkenyl cyclopentenone was selectively formed in 80-89% yields. In the case of 4,6-decadiyne, alpha-alkynylcyclopentenone was formed in 88% yield. Bridged alkynes such as 1,4-dihexynytbenzene afforded alpha alpha'-bridged cyclopentenone compounds in good yields. (C) 1997 Elsevier Science Ltd.
• Novel zirconacyclopentadiene complex; 8,8-bis(cyclopentadienyl)-7,9-bis(trimethylstannyl)-8-zirconabicyclo-[4.3.0]nona-1(9),6(7)-diene: synthesis, X-ray analysis, and catalytic activity for ethylene polymerization
  作者：Kunihiro Oouchi、Makoto Mitani、Michiya Hayakawa、Tohru Yamada、Teruaki Mukaiyama

  DOI：10.1016/0022-328x(96)06127-x

  日期：1996.6

  Zirconacyclopentadiene complex 2c containing gem-dimetallated carbon atoms by zirconium and tin was prepared by the oxidative coupling reaction of 'Cp(2)Zr' with distannyldiyne compounds. Complex 2c having trimethylstannyl groups was characterized by X-ray diffraction and its structure was compared with zirconacyclopentadiene analogues having tert-butyl groups (2a) or trimethylsilyl groups (3). The five-membered zirconacycle ring of 2c has a planar conformation whereas it is twisted in complexes 2a and 3. The C-Zr-C angle in 2c is smaller than those of the corresponding 2a and 3. The polymerization of ethylene proceeded when these complexes were used in combination with methylaluminoxane and it was found that the catalytic activities of these complexes were remarkably influenced by the substituents on the alpha-carbon atoms.
• Cyclization of diacetylenes to E,E exocyclic dienes. Complementary procedures based on titanium and zirconium reagents
  作者：William A. Nugent、David L. Thorn、R. L. Harlow

  DOI：10.1021/ja00243a036

  日期：1987.4

  La cyclisation intramoleculaire de composes diyniques a ete effectuee en utilisant l'une des combinaisons de reactifs: Cp 2 TiCl 2 /PMePh 2 /Na(Hg) ou Cp 2 ZrCl 2 /Mg/HgCl 2

  La cyclisation intramoleculaire de composes diyniques a ete effectuee en utilisant l'une des combinaisons de reactifs: Cp 2 TiCl 2 /PMePh 2 /Na(Hg) ou Cp 2 ZrCl 2 /Mg/HgCl 2