dimethyl-(1-methyl cyclopropyl)carbinol | 89794-29-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: dimethyl-(1-methyl cyclopropyl)carbinol
• 英文别名: 2-(1-methyl-cyclopropyl)-propan-2-ol；2-(1-Methylcyclopropyl)propan-2-ol
• CAS: 89794-29-6
• 化学式: C₇H₁₄O
• 分子量: 114.188
• InChiKey: SLWJJLUQLVJUPZ-UHFFFAOYSA-N

物化性质

• 沸点：
  133 °C(Press: 745 Torr)
• 密度：
  0.960±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  dimethyl-(1-methyl cyclopropyl)carbinol 在 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 生成 13-acetoxy-2,3,6,10-tetramethyl-trideca-2,6,10-triene
  参考文献：
  名称：

  Julia,M. et al., Bulletin de la Societe Chimique de France, 1960, p. 1708 - 1711

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2,3,3-tetramethyl-1,1-dibromocyclopropane 生成 dimethyl-(1-methyl cyclopropyl)carbinol
  参考文献：
  名称：

  Sydnes,L.K.; Skattebol,L., Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1978, vol. 32, p. 632 - 638

  摘要：

  DOI：

文献信息

• [EN] 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS<br/>[FR] DÉRIVÉS DE 6 -AMINO- 2 - PHÉNYLAMINO- 1H-BENZIMIDAZOLE- 5 -CARBOXAMIDE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA PROSTAGLANDINE E2 SYNTHASE-1 MICROSOMALE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012076673A1

  公开（公告）日：2012-06-14

  This invention relates to compounds of formula (I) their use as inhibitors of the microsomal prostaglandin E2 synthase-1 (mPGES-1), pharmaceutical compositions containing them, and their use as medicaments for the treatment and/or prevention of inflammatory diseases and associated conditions. A, L, M, W, R1, R2, R3, R4, R6, R7, R9, Ra, Rb have meanings given in the description.

  这项发明涉及式(I)的化合物，它们作为微粒体前列腺素E2合酶-1(mPGES-1)的抑制剂的用途，含有它们的药物组合物，以及它们作为治疗和/或预防炎症性疾病和相关症状的药物的用途。A、L、M、W、R1、R2、R3、R4、R6、R7、R9、Ra、Rb在描述中有给定的含义。
• NOVEL COMPOUNDS
  申请人：PRIEPKE Henning

  公开号：US20120149676A1

  公开（公告）日：2012-06-14

  This invention relates to compounds of formula I their use as inhibitors of the microsomal prostaglandin E 2 synthase-1 (mPGES-1), pharmaceutical compositions containing them, and their use as medicaments for the treatment and/or prevention of inflammatory diseases and associated conditions. A, L, M, W, R 1 , R 2 , R 3 , R 4 , R 6 , R 7 , R 9 , R a , R b have meanings given in the description.

  这项发明涉及到式I的化合物，它们作为微粒体前列腺素E2合酶-1（mPGES-1）的抑制剂的用途，含有它们的药物组合物，以及它们作为治疗和/或预防炎症性疾病和相关症状的药物的用途。A、L、M、W、R1、R2、R3、R4、R6、R7、R9、Ra、Rb在描述中有给出含义。
• Mechanistic Organic Chemistry in a Microreactor. Zeolite-Controlled Photooxidations of Organic Sulfides
  作者：Edward L. Clennan、Wenhui Zhou、Jacqueline Chan

  DOI：10.1021/jo0261808

  日期：2002.12.1

  The intrazeolite and solution photooxygenations of a series of sulfides have been compared. The unusual zeolite environment enhances the rates of reaction, it suppresses the Pummerer rearrangements, and it has a dramatic effect on the sulfoxide/sulfone ratio. A detailed kinetic study utilizing trapping experiments and intramolecular competition provides evidence for cation complexation to a persulfoxide

  比较了一系列硫化物的沸石内和溶液光氧化。异常的沸石环境提高了反应速率，抑制了Pummerer重排，并对亚砜/砜比例产生了巨大影响。利用捕集实验和分子内竞争进行的详细动力学研究为阳离子与过亚砜中间体的络合提供了证据，而后者是独特的沸石内行为的潜在现象。例如，提高的反应速率可追溯到过亚砜的阳离子稳定化，从而导致对底物和三重态氧的无用分解。
• Boron tribromide as a reagent for anti-Markovnikov addition of HBr to cyclopropanes
  作者：Matthew H. Gieuw、Shuming Chen、Zhihai Ke、K. N. Houk、Ying-Yeung Yeung

  DOI：10.1039/d0sc02567d

  日期：——

  Although radical formation from a trialkylborane is well documented, the analogous reaction mode is unknown for trihaloboranes. We have discovered the generation of bromine radicals from boron tribromide and simple proton sources, such as water or tert-butanol, under open-flask conditions. Cyclopropanes bearing a variety of substituents were hydro- and deuterio-brominated to furnish anti-Markovnikov

  尽管由三烷基硼烷形成自由基的记载已得到充分证明，但对于三卤硼烷而言，类似的反应模式尚不清楚。我们发现在开放烧瓶条件下，三溴化硼和简单的质子源（例如水或叔丁醇）会生成溴自由基。带有多种取代基的环丙烷被氢溴和氘代溴化，以高度区域选择性的方式提供了反马尔可夫尼科夫产品。NMR机理研究和DFT计算指向自由基途径，而不是BBr 3预期的常规离子机理。
• SUBSTITUTED PYRIDINONE COMPOUNDS AS MEK INHIBITORS
  申请人：The Asan Foundation

  公开号：US20160108041A1

  公开（公告）日：2016-04-21

  The invention provides novel substituted heterocyclic compounds represented by Formula I and Formula II, or a pharmaceutically acceptable salt, solvate, polymorph, ester, tautomer or prodrug thereof, and a composition comprising these compounds. The compounds provided can be used as inhibitors of MEK and are useful in the treatment of inflammatory diseases, cancer and other hyperproliferative diseases. The invention further provides a method of treatment for inflammatory diseases, cancer and other hyperproliferative diseases in mammals, especially humans.

  本发明提供了一种新型取代杂环化合物，其由公式I和公式II表示，或其药学上可接受的盐、溶剂化合物、多晶形、酯、互变异构体或前药，以及包含这些化合物的组合物。所提供的化合物可用作MEK的抑制剂，并且在治疗炎症性疾病、癌症和其他增生性疾病方面非常有用。本发明还提供了一种治疗哺乳动物，特别是人类炎症性疾病、癌症和其他增生性疾病的方法。