2-ethyl-4,4-dimethyl-pent-1-en-3-one | 35409-98-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-ethyl-4,4-dimethyl-pent-1-en-3-one
• 英文别名: 2,2-Dimethyl-4-methylidenehexan-3-one；2,2-dimethyl-4-methylidenehexan-3-one
• CAS: 35409-98-4
• 化学式: C₉H₁₆O
• 分子量: 140.225
• InChiKey: FYQMLOULLRSVOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 2,2-二甲基己酮 生成 2-ethyl-4,4-dimethyl-pent-1-en-3-one
  参考文献：
  名称：

  练习曲spectroscopique定量DE L'ecart一拉planeite杜SYSTEME conjugue丹斯莱分子D'α-烯酮- [R 1 COCR 2 CH 2

  摘要：

  UV，NMR和9αβ不饱和酮IR光谱- [R 1 COCR 2 CH 2进行了研究，其中，R 1和R 2是Me，ET，I-PR，叔卜或新Pe的组。与NMR光谱相比，UV光谱（尤其是IR光谱）提供了更多有用的信息。当R 1 = Me，Et，i-Pr或t-Bu且R 2 = Me时，s- trans和扭曲构象之间存在平衡，其中两个π系统之间的死角约为120°。当R 1 = t-Bu和R 2 = Et，i-Pr，t-Bu或neo-Pe时，两个扭曲构象处于平衡状态。在任何情况下是S-任何明显的量顺 观察到的构象。

  DOI：

  10.1016/0040-4020(72)84043-2

文献信息

• [EN] TRICYCLOPYRAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE TRICYCLOPYRAZOLE
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2011067145A1

  公开（公告）日：2011-06-09

  Compounds which are tricyclopyrazole derivatives or pharmaceutically acceptable salts thereof, their preparation process and pharmaceutical compositions comprising them are disclosed; these compounds are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, viral infection, prevention of AIDS development in HIV-infected individuals, cell proliferative disorders, autoimmune and neurodegenerative disorders; also disclosed is a process under Solid Phase Synthesis conditions for preparing the compounds of the invention and chemical libraries comprising a plurality of them.

  本发明揭示了三环吡唑衍生物或其药用可接受盐，其制备方法以及包括它们的药物组合物；这些化合物可用于治疗由变异蛋白激酶活性引起和/或相关的疾病，如癌症、病毒感染、预防HIV感染者中艾滋病发展、细胞增殖性疾病、自身免疫和神经退行性疾病；本发明还揭示了一种在固相合成条件下制备本发明化合物的方法以及包括其中多种化合物的化学库。
• 11 beta, 13-DIHYDROHELENALIN DERIVATIVES AND USES THEREOF AS BOMBESIN RECEPTOR SUBTYPE 3 AGNOISTS
  申请人：KING Klim

  公开号：US20120156314A1

  公开（公告）日：2012-06-21

  The present invention relates to compounds of formual (I): wherein Y is a single bond or double bound; and R 1 is —C(CH 3 )C 2 H 5 or —C(CH 3 )═CHCH 3 , when Y is a single bound; R 1 is —C(CH 3 )═CH 2 , is —C(CH 3 ) 2 , —C(CH 3 )═CHCH 3 , —C(CH 3 )C 2 H 5 , or —CH 2 C(CH 3 ) 2 , when Y is a double bound. These compounds are bombesin receptor subtype 3 (BRS3) modulating agents, more specifically that they are BRS3 agonists. The invention is also related to the use of such compounds to treat diseases associated with inappropriate BRS3 activity.
• POLYMER COMPOSITIONS AND METHODS
  申请人：Allen Scott D.

  公开号：US20130172482A1

  公开（公告）日：2013-07-04

  The present invention encompasses polymer compositions comprising aliphatic polycarbonate chains containing sites of olefinic unsaturation. In certain embodiments the aliphatic polycarbonate chains comprise sites of olefinic unsaturation capable of participating in radical-promoted olefin polymerizations. In certain embodiments, the invention encompasses composites formed by the polymerization or cross-linking of a combination of olefinic monomers and aliphatic polycarbonate chains containing sites of olefinic unsaturation.
• US9399701B2
  申请人：——

  公开号：US9399701B2

  公开（公告）日：2016-07-26
• Etude spectroscopique quantitative de l'ecart a la planeite du systeme conjugue dans les molecules d'α-enones R1COCR2CH2
  作者：A. Bienvenue

  DOI：10.1016/0040-4020(72)84043-2

  日期：1972.1

  UV, NMR and IR spectra of 9 αβ-unsaturated ketones R1COCR2CH2 have been studied, where R1 and R2 are Me, Et, i-Pr, t-Bu or neo-Pe groups. UV and especially IR spectroscopy give more useful information than NMR spectroscopy. When R1 = Me, Et, i-Pr or t-Bu and R2 = Me, an equilibrium exists between the s-trans and a twisted conformation in which the diedral angle between the two π systems is about 120°

  UV，NMR和9αβ不饱和酮IR光谱- [R 1 COCR 2 CH 2进行了研究，其中，R 1和R 2是Me，ET，I-PR，叔卜或新Pe的组。与NMR光谱相比，UV光谱（尤其是IR光谱）提供了更多有用的信息。当R 1 = Me，Et，i-Pr或t-Bu且R 2 = Me时，s- trans和扭曲构象之间存在平衡，其中两个π系统之间的死角约为120°。当R 1 = t-Bu和R 2 = Et，i-Pr，t-Bu或neo-Pe时，两个扭曲构象处于平衡状态。在任何情况下是S-任何明显的量顺 观察到的构象。