methylneopentylketene | 106568-48-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methylneopentylketene
• CAS: 106568-48-3
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: OAMQQNKZKIDHJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  Nb(η(5)-C5H4(SiMe3))2Cl 、 methylneopentylketene 以 正己烷 为溶剂， 生成
  参考文献：
  名称：

  全新世-乙烯酮配合物的活化：以配体为中心的氢化物和酰基的合成

  摘要：

  The title compounds (C5H4R)2Nb(X)(eta2-C,O-OCCR1R2) (R = H, SiMe3; X = Cl) were prepared from electron-rich Nb(III) compounds of formula (C5H4R)2NbCl and the free ketenes. One such derivative (3b, R = SiMe3, R1 = Et, R 2 = Ph) was studied crystallographically (monoclinic, P2(1)/c, with a = 7.938(5) angstrom, b = 15.81(2) angstrom, c = 21.61(1) angstrom, beta = 95.41(6)-degrees, and Z = 4) and was found to exhibit the exo-E geometry in the solid state. General use was made of unsymmetrically-substituted ketenes to demonstrate mechanistic aspects of the chemistry. For instance, the ligated ketenes were found to undergo an intramolecular isomerization involving the E and Z ketene isomers, which is postulated to proceed via a slipped-ketene intermediate. The unsaturated ligands also function as a source of synthetic potential, since the complexes are susceptible to protonation at the ketene beta-carbon or reduction involving the ketene pi system. The metallaenolates resulting from the latter process have been converted to ketene-hydride analogues (X = H) by way of a multistep process involving acyl beta-hydride elimination, while protonation generates highly-substituted cationic eta2-acyl compounds. Reduction of the latter constitutes another entry into the sequence resulting in ketene-hydrides and serves to corroborate the mechanistic claims. Finally, the hydride ligands in the ketene-hydrides are unusually resistant to strong acids, since the compounds react instead at the ketene terminus to form highly electron-deficient acyl hydride cations which show no tendency to eliminate aldehyde.

  DOI：

  10.1021/om00029a046
• 作为产物：
  描述：

  2-(2,2-Dimethyl-propyl)-2-methyl-malonic acid 生成 methylneopentylketene
  参考文献：
  名称：

  DEHMLOW E. V.; PICKARDT J.; SLOPIANKA M.; FASTABEND U.; DRECHSLER K.; SOU+, LIEBIGS ANN. CHEM.,(1987) N 4, 377-379

  摘要：

  DOI：

文献信息

• METHOD FOR MANUFACTURING AN EPOXY COMPOUND AND METHOD FOR EPOXIDIZING A CARBON-CARBON DOUBLE BOND
  申请人：Takumi Kiyoshi

  公开号：US20120108830A1

  公开（公告）日：2012-05-03

  The present invention provides a method for producing an epoxy compound, comprising oxidizing a carbon-carbon double bond of an organic compound by hydrogen peroxide in the presence of a neutral inorganic salt and a mixed catalyst of a tungsten compound (a), at least one phosphorus compound selected from the group consisting of phosphoric acids, phosphonic acids, and salts thereof (b) and a surfactant (c), and an epoxidizing method comprising oxidizing a carbon-carbon double bond by hydrogen peroxide in the presence of the catalyst and the neutral inorganic salt.

  本发明提供了一种生产环氧化合物的方法，包括在中性无机盐和钨化合物（a）、磷酸、膦酸及其盐（b）和表面活性剂（c）的混合催化剂存在下，通过过氧化氢氧化有机化合物的碳-碳双键，以及一种环氧化方法，包括在催化剂和中性无机盐存在下，通过过氧化氢氧化碳-碳双键。
• DEHMLOW E. V.; PICKARDT J.; SLOPIANKA M.; FASTABEND U.; DRECHSLER K.; SOU+, LIEBIGS ANN. CHEM.,(1987) N 4, 377-379
  作者：DEHMLOW E. V.、 PICKARDT J.、 SLOPIANKA M.、 FASTABEND U.、 DRECHSLER K.、 SOU+

  DOI：——

  日期：——
• US4237188A
  申请人：——

  公开号：US4237188A

  公开（公告）日：1980-12-02
• US4256594A
  申请人：——

  公开号：US4256594A

  公开（公告）日：1981-03-17
• US4299712A
  申请人：——

  公开号：US4299712A

  公开（公告）日：1981-11-10