dimethyl (3,3-dimethyl-2-oxobutyl)phosphonate | 7257-97-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: dimethyl (3,3-dimethyl-2-oxobutyl)phosphonate
• 英文别名: dimethyl (2-oxo-3,3-dimethylbutyl)phosphonate；1-dimethoxyphosphoryl-3,3-dimethylbutan-2-one
• CAS: 7257-97-8
• 化学式: C₈H₁₇O₄P
• 分子量: 208.194
• InChiKey: KTJCJEABALSODG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dimethyl (3,3-dimethyl-2-oxobutyl)phosphonate 在 重铬酸吡啶 、 Celite 、 potassium tert-butylate 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 96.0h， 生成 (1R,3aR,7aR)-7a-Methyl-1-((E)-(R)-1,5,5-trimethyl-4-oxo-hex-2-enyl)-octahydro-inden-4-one
  参考文献：
  名称：

  Highly antiproliferative, low-calcemic, side-chain ketone analogs of the hormone 1α,25-dihydroxyvitamin D3

  摘要：

  A series 2a-4b of seven new side-chain ketone analogs of calcitriol (1) have been prepared. Unexpectedly, several of these 24- and 25-tert-butyl ketones, even though lacking the classical side-chain tertiary hydroxyl group, are considerably more antiproliferative in vitro than the hormone calcitriol (1) even at physiologically relevant low nanomolar concentrations and are less calcemic than calcitriol (1) in vivo. In addition, ketone analog 19-nor-2a is not significantly less calcemic in vivo than 19-methylene analog 2a. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.06.031
• 作为产物：
  描述：

  三甲基乙酰氯 、 甲基膦酸二甲酯 在 正丁基锂 、 copper(l) iodide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 20.42h， 以75%的产率得到dimethyl (3,3-dimethyl-2-oxobutyl)phosphonate
  参考文献：
  名称：

  对映选择性铜催化的1,6-硼酸酯可切换合成Z-均烯丙基硼酸酯和E-烯丙基硼酸酯

  摘要：

  描述了（E，E）-α，β，γ，δ-不饱和酮的对映选择性Cu催化的1,6-硼酸酯，它使对映体硼酸酯具有高对映体纯度和出乎意料的高Z选择性。通过改变溶剂，可以改变结果，得到E-烯丙基硼酸盐。

  DOI：

  10.1002/chem.201801804

文献信息

• LOW-CALCEMIC 16,23-DIENE 25-OXIME ANALOGS OF 1ALPHA,25-DIHYDROXY VITAMIN D3
  申请人：Saha Uttam

  公开号：US20090082317A1

  公开（公告）日：2009-03-26

  The present invention provides novel 16,23-diene 25-oxime ether analogs of 1,25-dihydroxy vitamin D3, compositions comprising these compounds and methods of using these compounds as inhibitors of CYP24. In particular, the novel compound of the invention are useful for treating diseases which benefit from a modulation of the levels of 1,25-dihydroxy vitamin D3, for example, cell-proliferative disorders.

  本发明提供了一种新颖的1,25-二羟基维生素D3的16,23-二烯-25-氧基醚类似物，包括含有这些化合物的组合物以及将这些化合物用作CYP24抑制剂的方法。特别是，本发明的这种新颖化合物对于治疗受益于调节1,25-二羟基维生素D3水平的疾病是有用的，例如，细胞增殖紊乱。
• (22E)-2-METHYLENE-22-DEHYDRO-1ALPHA,24,25-TRIHYDROXY-19-NOR-VITAMIN D3 ANALOGS
  申请人：Wisconsin Alumni Research Foundation

  公开号：US20140206655A1

  公开（公告）日：2014-07-24

  Disclosed are (22E)-2-methylene-22-dehydro-1,24,25-trihydroxy-19-nor-vitamin D 3 compounds, their biological activities, and various pharmaceutical uses for these compounds. Particularly disclosed are (22E)-(24R)-2-methylene-22-dehydro-1α,24,25-trihydroxy-19-nor-vitamin D 3 and (22E)-(24S)-2-methylene-22-dehydro-1α,24,25-trihydroxy-19-nor-vitamin D 3 , their biological activities, and various pharmaceutical uses for these compounds.

  披露了(22E)-2-亚甲基-22-去氢-1,24,25-三羟基-19-去甲基维生素D3化合物，它们的生物活性以及这些化合物的各种药用。特别披露了(22E)-(24R)-2-亚甲基-22-去氢-1α,24,25-三羟基-19-去甲基维生素D3和(22E)-(24S)-2-亚甲基-22-去氢-1α,24,25-三羟基-19-去甲基维生素D3，它们的生物活性以及这些化合物的各种药用。
• Asymmetric Hydrogenation of<i>tert</i>-Alkyl Ketones: DMSO Effect in Unification of Stereoisomeric Ruthenium Complexes
  作者：Tomoya Yamamura、Hiroshi Nakatsuka、Shinji Tanaka、Masato Kitamura

  DOI：10.1002/anie.201304408

  日期：2013.8.26

  Face off: The ruthenium complexes of a new axially chiral PNN ligand (L) are highly efficient in the presence of dimethylsulfoxide (DMSO) for hydrogenation of both functionalized and unfunctionalized tert‐alkyl ketones. DMSO is thought to narrow down the many possible complex stereoisomers into a single facial L/Ru complex, thus enhancing the reactivity, selectivity, and productivity.

  面临的挑战：新型的轴向手性PNN配体（L）的钌络合物在二甲基亚砜（DMSO）的存在下对官能化和未官能化叔烷基酮的加氢都非常有效。DMSO被认为可以将许多可能的复杂立体异构体缩小为单个面部L / Ru复杂物，从而提高了反应性，选择性和生产率。
• Azolyl-substituted unsaturated ketones and herbicidal use thereof
  申请人：Imperial Chemical Industries Limited

  公开号：US04235620A1

  公开（公告）日：1980-11-25

  Herbicidal compounds of the formula ##STR1## wherein X is a 1(1,2,4-triazolyl)radical or a 1-imidazolyl radical and R.sup.1 and R.sup.2 are alkyl or cycloalkyl radicals of 2 to 10 carbon atoms or phenyl or naphthyl radicals optionally bearing specified substituents, and acid addition salts and metal complexes thereof. These compounds are useful as general herbicides and as selective herbicides in maize, rice, soya, sorghum and oil-seed rape.

  公式##STR1##中的除草化合物，其中X是1(1,2,4-三唑基)基团或1-咪唑基团，R.sup.1和R.sup.2是2到10个碳原子的烷基或环烷基基团，或苯基或萘基团，可选地带有指定的取代基，以及其酸盐和金属络合物。这些化合物可用作通用除草剂和玉米、稻米、大豆、高粱和油菜籽的选择性除草剂。
• 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI.sub.2 derivatives
  申请人：Toray Industries, Inc.

  公开号：US04775692A1

  公开（公告）日：1988-10-04

  Disclosed herein are novel prostaglandin I.sub.2 (PGI.sub.2) derivatives exhibiting excellent in vivo duration and activities, said derivatives being represented by the general formula: ##STR1## wherein R.sub.1, X, R.sub.2 and R.sub.3 are as defined herein.

  本文披露了一种展现出优异体内持续时间和活性的新型前列腺素I.sub.2（PGI.sub.2）衍生物，所述衍生物由以下一般式表示：##STR1##其中R.sub.1、X、R.sub.2和R.sub.3如本文所定义。