2,2-二甲基-1-[2-(甲硫基)苯基]-1-丙酮 | 507272-92-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,2-二甲基-1-[2-(甲硫基)苯基]-1-丙酮
• 英文名称: 2,2-dimethyl-1-(2-(methylthio)phenyl)propan-1-one
• 英文别名: 2,2-Dimethyl-2'-thiomethylpropiophenone；2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-one
• CAS: 507272-92-6
• 化学式: C₁₂H₁₆OS
• 分子量: 208.324
• InChiKey: XCISCKNRZVMROT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2,2-二甲基-1-[2-(甲硫基)苯基]-1-丙酮 在 硼烷铵络合物 、 C₆₈H₆₅O₄PSi₂ 、 水 作用下， 以 二硫化碳 为溶剂， 反应 12.0h， 以50%的产率得到
  参考文献：
  名称：

  氨硼烷催化手性磷酸催化大体积芳基酮的不对称转移加氢

  摘要：

  以手性磷酸（CPA）为催化剂，水为添加剂，成功实现了氨硼烷对大体积芳基酮的不对称转移加氢反应。以高至高收率获得了多种旋光仲醇，ee高达77％。该反应可能是通过布朗斯台德酸促进的双氢在酮和氨硼烷之间的六元一致过渡态转移而进行的。

  DOI：

  10.1016/j.tetlet.2019.151394
• 作为产物：
  描述：

  叔丁基锂 、 邻甲硫基苯甲酸酰氯 在 溴化亚铜二甲硫醚 作用下， 以 四氢呋喃 为溶剂， 反应 6.5h， 生成 2,2-二甲基-1-[2-(甲硫基)苯基]-1-丙酮
  参考文献：
  名称：

  氨硼烷催化手性磷酸催化大体积芳基酮的不对称转移加氢

  摘要：

  以手性磷酸（CPA）为催化剂，水为添加剂，成功实现了氨硼烷对大体积芳基酮的不对称转移加氢反应。以高至高收率获得了多种旋光仲醇，ee高达77％。该反应可能是通过布朗斯台德酸促进的双氢在酮和氨硼烷之间的六元一致过渡态转移而进行的。

  DOI：

  10.1016/j.tetlet.2019.151394

文献信息

• Synthesis and Reactivity of Aryl- and Heteroaryl-Magnesium Reagents Bearing Keto Groups
  作者：Paul Knochel、Florian Felix Kneisel

  DOI：10.1055/s-2002-34865

  日期：——

  The reaction of iodophenyl ketones with neo-pentylmagnesium bromide in THF or THF:NMP or THF:DMAC mixtures allows the first preparation of aryl- and heteroarylmagnesium species bearing a ketone. Under appropriate conditions, these new reagents react with a range of electrophiles, leading to polyfunctional products.

  碘苯基酮与新戊基溴化镁在 THF 或 THF:NMP 或 THF:DMAC 混合物中发生反应，首次制备出带有酮的芳基和杂芳基镁。 在适当的条件下，这些新试剂可与一系列亲电体发生反应，生成多官能团产物。
• Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use
  申请人：Clairmont Kevin

  公开号：US20090280106A1

  公开（公告）日：2009-11-12

  This invention provides peptides with novel modifications that provide suitable derivatization sites to improve the pharmacokinetic properties of the peptides. These modified peptides function in vivo as agonists of the VPAC2 receptor. The peptides of the present invention provide a new therapy for patients with decreased endogenous insulin secretion, for example, type 2 diabetics.

  本发明提供了具有新颖修饰的肽，这些修饰提供了适合衍生化的位点，以改善肽的药代动力学特性。这些修饰后的肽在体内作为VPAC2受体的激动剂发挥作用。本发明的肽为具有内源性胰岛素分泌减少的患者，例如2型糖尿病患者提供了新的治疗方法。
• Oligonucleotides, compositions and methods thereof
  申请人：WAVE LIFE SCIENCES LTD.

  公开号：US11013757B2

  公开（公告）日：2021-05-25

  The present disclosure pertains to the recognition that immune responses mediated by CpG oligonucleotides can be affected by the stereochemistry of modified internucleotidic linkages such as phosphorothioates. In some embodiments, the present disclosure relates to chirally controlled CpG oligonucleotide compositions comprising CpG oligonucleotides comprising multiple modified internucleotidic linkages such as phosphorothioate linkages, wherein the oligonucleotides comprise one or more CpG region motifs having defined stereochemistry patterns of chiral internucleotidic linkages. In some embodiments, CpG oligonucleotides comprising one or more CpG region motifs are capable of agonizing an immune response. In some embodiments, CpG oligonucleotides comprising one or more CpG region motifs are antagonistic. Methods for making and using chirally controlled CpG oligonucleotide compositions are also described. In some embodiments, no immune modulation is desired, and the present disclosure provides methods of identifying chirally controlled oligonucleotide compositions which have decreased immune modulation.

  本公开涉及这样一种认识，即 CpG 寡核苷酸介导的免疫反应可受硫代磷酸酯等修饰的核苷酸间连接的立体化学的影响。在一些实施方案中，本公开涉及手性控制的 CpG 寡核苷酸组合物，该组合物包含CpG 寡核苷酸，该CpG 寡核苷酸包含多个修饰的核苷酸间连接，如硫代磷酸酯连接，其中寡核苷酸包含一个或多个 CpG 区域基序，该 CpG 区域基序具有手性核苷酸间连接的确定立体化学模式。在一些实施方案中，包含一个或多个 CpG 区域基团的 CpG 寡核苷酸能够激动免疫反应。在某些实施方案中，包含一个或多个 CpG 区域基团的 CpG 寡核苷酸具有拮抗作用。还描述了制作和使用啁啾控制 CpG 寡核苷酸组合物的方法。在某些实施方案中，不需要免疫调节，本公开提供了确定免疫调节性降低的手性控制寡核苷酸组合物的方法。
• Selective neuropeptide y2 receptor agonists
  申请人：Lumb Kevin

  公开号：US20090105122A1

  公开（公告）日：2009-04-23

  This invention provides peptides that act as selective NPY2 receptor agonists in vitro and are efficacious in vivo to reduce food intake. The invention is a peptide selected from a specific group of derivatized NPY-related peptides, or functional equivalents thereof. The invention is also directed to a method of treating a metabolic disease in a mammal comprising administering a therapeutically effective amount of the peptides to said mammal to reduce food intake and body weight.
• THIOETHER-PIPERIDINYL OREXIN RECEPTOR ANTAGONISTS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20160318899A1

  公开（公告）日：2016-11-03

  The present invention is directed to thioether-piperidinyl compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the thioether-piperidinyl compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.