2-methyl-7-oxabicyclo[4.1.0]heptane

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 英文名称: 2-methyl-7-oxabicyclo[4.1.0]heptane
• 英文别名: cis-3-Methyl-cyclohexenoxid；(1R,2R,6S)-2-methyl-7-oxabicyclo[4.1.0]heptane
• 化学式: C₇H₁₂O
• 分子量: 112.172
• InChiKey: NRFMZKXHPJBQBW-DSYKOEDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (1RS,2RS,3SR)-3-methylcyclohexane-1,2-diol 以18%的产率得到
  参考文献：
  名称：

  KELLY, J. W.;ROBINSON, P. L.;EVANS, S. A. ,, JR., J. ORG. CHEM., 1985, 50, N 24, 5007-5009

  摘要：

  DOI：

文献信息

• Photocatalytic Asymmetric Epoxidation of Terminal Olefins Using Water as an Oxygen Source in the Presence of a Mononuclear Non-Heme Chiral Manganese Complex
  作者：Duyi Shen、Claudio Saracini、Yong-Min Lee、Wei Sun、Shunichi Fukuzumi、Wonwoo Nam

  DOI：10.1021/jacs.6b10836

  日期：2016.12.14

  epoxidation of terminal olefins using a mononuclear non-heme chiral manganese catalyst, [(R,R-BQCN)MnII]2+, and water as an oxygen source yields epoxides with relatively high enantioselectivities (e.g., up to 60% enantiomeric excess). A synthetic mononuclear non-heme chiral Mn(IV)-oxo complex, [(R,R-BQCN)MnIV(O)]2+, affords similar enantioselectivities in the epoxidation of terminal olefins under stoichiometric

  使用单核非血红素手性锰催化剂 [(R,R-BQCN)MnII]2+ 和水作为氧源对末端烯烃进行光催化对映选择性环氧化，产生具有相对较高对映选择性（例如，对映体过量达 60%）的环氧化物）。合成的单核非血红素手性 Mn(IV)-氧配合物 [(R,R-BQCN)MnIV(O)]2+ 在化学计量反应条件下端烯烃的环氧化中提供了类似的对映选择性。在激光闪光光解和其他光谱方法的组合结果的基础上，讨论了光诱导催化每个单独步骤的机制细节，包括 Mn(IV)-氧代中间体的形成。
• Investigation of the Reaction Mechanism for the Epoxidation of Alkenes with Hydrogen Peroxide Catalyzed by a Protonated Tetranuclear Peroxotungstate with NMR Spectroscopy, Kinetics, and DFT Calculations
  作者：Ryo Ishimoto、Keigo Kamata、Noritaka Mizuno

  DOI：10.1002/ejic.201201058

  日期：2013.4

  that steric constraints of the active site of I are comparable to those of di- and tetranuclear peroxotungstates with XO4n– ligands (X = SeVI, AsV, PV, SVI, and SiIV). The lowest XSO [XSO = (nucleophilic oxidation)/(total oxidation)] value of 0.13 for the I-catalyzed oxidation of thianthrene 5-oxide among peroxotungstates reveals that I has the most electrophilic active oxygen species. Kinetic and spectroscopic

  对于环辛烯与过氧化氢 (H2O2) 的环氧化，双核过钨酸盐 [WO(O2)2}2(μ-O)]2– 的催化活性强烈依赖于添加剂，而 HClO4 是最有效的. [WO(O2)2}2(μ-O)]2– 与 HClO4（0.5 当量）反应生成质子化的四核过钨酸盐，[HW2O2(O2)4(μ-O)}2]3 - （一世）。3-甲基-1-环己烯环氧化的非对映选择性表明，I 的活性位点的空间约束与具有 XO4n– 配体（X = SeVI、AsV、PV、SVI 和 SiIV）的双核和四核过氧钨酸盐的空间约束相当. 过氧化钨酸盐中噻蒽 5-氧化物的 I 催化氧化的最低 XSO [XSO =（亲核氧化）/（总氧化）] 值为 0.13，表明 I 具有最多的亲电活性氧物质。动力学和光谱结果表明，惰性物质 (I') 通过 I 与水的反应可逆地形成。催化环氧化的反应速率显示出对烯烃和 I 浓度的一级依赖性和对
• ROBINSON, PH. L.;EVANS, S. A. ,, JR., J. ORG. CHEM., 1985, 50, N 20, 3860-3863
  作者：ROBINSON, PH. L.、EVANS, S. A. ,, JR.

  DOI：——

  日期：——
• ANTI-MICROBIAL AGENTS AND USES THEREOF
  申请人：Cornell Research Foundation, Inc.

  公开号：US20140024611A1

  公开（公告）日：2014-01-23

  Many pathogens, including Mycobacterium tuberculosis and Yersinia pestis , rely on an iron acquisition system based on siderophores, secreted iron-chelating compounds with extremely high Fe(III) affinity. The compounds of the invention are inhibitors of domain salicylation enzymes, which catalyze the salicylation of an aroyl carrier protein (ArCP) domain to form a salicyl-ArCP domain thioester intermediate via a two-step reaction. The compounds include the intermediate mimic 5′-O—[N-(salicyl)sulfamoyl]-adenosine (salicyl-AMS) and analogs thereof. These compounds are inhibitors of the salicylate activity of MbtA, YbtE, PchD, and other domain salicylation enzymes involved in the biosynthesis of siderophores. Therefore, these compounds may be used in the treatment of infection caused by microorganisms which rely on siderphore-based iron acquisition systems. Pharmaceutical composition and methods of using these compounds to treat or prevent infection are also provided as well as methods of preparing the inventive compounds.
• SULFONAMIDES DERIVED FROM TRICYCLYL-2-AMINOCYCLOALKANOLS AS ANTICANCER AGENTS
  申请人：ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI

  公开号：US20170015625A1

  公开（公告）日：2017-01-19

  A genus of arylsulfonamide derivatives of aminocycloalkanols is disclosed. The compounds are of the following genus: The compounds induce FOXO1 transcription factor translocation to the nucleus by modulating PP2A and, as a consequence, exhibit anti-proliferative effects. They are useful in the treatment of a variety of disorders, including as a monotherapy in cancer treatment, or used in combination with other drugs to restore sensitivity to chemotherapy where resistance has developed.

表征谱图