4,6-dimethyl-heptan-3-one | 40239-30-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,6-dimethyl-heptan-3-one
• 英文别名: 4,6-Dimethyl-heptan-3-on；4,6-Dimethylheptan-3-one
• CAS: 40239-30-3
• 化学式: C₉H₁₈O
• 分子量: 142.241
• InChiKey: MZTSMUNNNLVGKC-UHFFFAOYSA-N

物化性质

• 沸点：
  170-173 °C
• 密度：
  0.8208 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  (E)-4,6-dimethylhept-4-en-3-one 在 氢气 、 镍 作用下， 生成 4,6-dimethyl-heptan-3-one
  参考文献：
  名称：

  Thoms; Kahre, Archiv der Pharmazie, 1925, p. 250

  摘要：

  DOI：

文献信息

• METHOD FOR THE SYNTHESIS OF PEPTIDES WITHOUT SOLVENT
  申请人：Martinez Jean

  公开号：US20100016631A1

  公开（公告）日：2010-01-21

  The disclosure relates to a method for the synthesis of a compound of the formula (I) in which: n is an integer higher than or equal to 1; Rb and each Rn are independently a hydrogen atom, a C 1 -C 6 arylalkyl group or a C 1 -C 6 alkyl group substituted or not by an aryl group, —COOH, C 1 -C 6 , —COO-(alkyl), —CONH 2 , —SH, heteroaryl, —NH 2 , —NHC(NH)(NH 2 ), C 1 -C 6 -s-(alkyl), —OH or phenol; Ra is a N-protective group; Rc is a ORd group in which Rd is a C 1 -C 6 alkyl group or a NReRf group in which Re and Rf Re independently an N-protective group.

  披露涉及一种用于合成公式(I)化合物的方法，其中：n是大于或等于1的整数；Rb和每个Rn独立的是氢原子、C1-C6芳烷基团或由芳基团、—COOH、C1-C6、—COO-(烷基)、—CONH2、—SH、杂芳基、—NH2、—NHC(NH)(NH2)、C1-C6-s-(烷基)、—OH或酚取代或未取代的C1-C6烷基团；Ra是N-保护基团；Rc是ORd基团，其中Rd是C1-C6烷基团或NReRf基团，其中Re和Rf独立的是N-保护基团。
• <i>C</i>-Methylation of Alcohols, Ketones, and Indoles with Methanol Using Heterogeneous Platinum Catalysts
  作者：S. M. A. Hakim Siddiki、Abeda S. Touchy、Md. A. R. Jamil、Takashi Toyao、Ken-ichi Shimizu

  DOI：10.1021/acscatal.7b04442

  日期：2018.4.6

  heterogeneous catalytic method for the methylation of C–H bonds in alcohols, ketones, and indoles with methanol under oxidant-free conditions using a Pt-loaded carbon (Pt/C) catalyst in the presence of NaOH is reported. This catalytic system is effective for various methylation reactions: (1) the β-methylation of primary alcohols, including aryl, aliphatic, and heterocyclic alcohols, (2) the α-methylation

  一种通用，选择性和可循环利用的非均相催化方法，是在无氧化剂的条件下，使用载有Pt的碳（Pt / C）催化剂在NaOH的存在下，用甲醇在醇，酮和吲哚中的C–H键进行甲基化的方法是报告。该催化体系对各种甲基化反应均有效：（1）伯醇（包括芳基，脂肪族和杂环醇）的β-甲基化；（2）酮的α-甲基化；（3）选择性C3-吲哚的甲基化。反应由借氢机制驱动。反应开始于将醇脱氢得到醛，然后将其与亲核试剂（醛，酮或吲哚）进行缩合反应，然后通过Pt–H物种将缩合产物氢化以生成所需的醛。产品。在这项研究中探讨的所有甲基化反应中，Pt / C催化剂的周转率均比以前报道的其他均相催化体系高得多。而且，证明了如在不同金属表面上的密度泛函理论计算所揭示的，Pt的高催化活性可以根据氢在金属表面上的吸附能而合理化。
• ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF
  申请人：Scicinski Jan

  公开号：US20140349988A1

  公开（公告）日：2014-11-27

  The invention provides organonitro thioether compounds, compositions containing such compounds, isolated organonitro thioether compounds and methods for using such compounds and compositions to treat cancer in a patient. Exemplary organonitro thioether compounds described herein include 2-(3,3-dinitroazetidin-1-yl)-2-oxoethyl thioethers and variants thereof. Another aspect of the invention provides a pharmaceutical composition, comprising a pharmaceutically acceptable carrier and an organonitro thioether compound described herein, such as a compound of Formula I or II. Another aspect of the invention provides a method of treating cancer in a patient. The method comprises administering to a patient in need thereof a therapeutically effective amount of an organonitro thioether compound described herein, such as a compound of Formula I or II, to treat the cancer.

  本发明提供了有机硝基硫醚化合物，含有这种化合物的组合物，分离的有机硝基硫醚化合物以及使用这种化合物和组合物治疗患者的方法。本文描述的示例有机硝基硫醚化合物包括2-（3,3-二硝基氮杂环丙烷-1-基）-2-氧乙基硫醚及其变体。本发明的另一个方面提供了一种制药组合物，包括一种药学上可接受的载体和本文所述的有机硝基硫醚化合物，例如式I或II的化合物。本发明的另一个方面提供了一种治疗患者癌症的方法。该方法包括向需要治疗癌症的患者施用本文所述的有机硝基硫醚化合物的治疗有效量，例如式I或II的化合物，以治疗癌症。
• TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF
  申请人：TAFESSE Laykea

  公开号：US20120177570A1

  公开（公告）日：2012-07-12

  The invention relates to compounds of formula IA″ and pharmaceutically acceptable derivatives thereof, compositions comprising an effective amount of a compound of formula IA″ or a pharmaceutically acceptable derivative thereof, and methods for treating or preventing a condition such as pain, UI, an ulcer, IBD and IBS, comprising administering to an animal in need thereof an effective amount of a compound of formula IA″ or a pharmaceutically acceptable derivative thereof.
• BRUSH-POLY (GLYCOAMIDOAMINE)-LIPIDS AND USES THEREOF
  申请人：Massachusetts Institute of Technology

  公开号：US20160067346A1

  公开（公告）日：2016-03-10

  The present disclosure provides brush-poly(glycoamidoamine)-lipids (PGALs) (e.g., polymers of any one of Formulae (I)-(IV)) and methods of preparing the PGALs. A described PGAL may include poly(glycoamidoamine)-derived moieties (e.g., such as which may assist the PGAL and/or a complex of the PGAL and an agent to pass through cell membranes or be taken up by cells. Also provided are compositions including a described PGAL and an agent (e.g., polynucleotide, small molecule, peptide, or protein). The present disclosure also provides methods, kits, and uses that include or involve the PGALs or compositions for delivering an agent to a subject, tissue, or cell and/or for treating and/or preventing in a subject a range of diseases, such as genetic diseases, proliferative diseases, hematological diseases, neurological diseases, immunological diseases, gastrointestinal diseases, respiratory diseases, painful conditions, psychiatric disorders, musculoskeletal diseases, genitourinary diseases, and metabolic disorders.