反式-1,2-二甲氧基环己烷 | 29887-60-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 反式-1,2-二甲氧基环己烷
• 英文名称: trans-1,2-dimethoxycyclohexane
• 英文别名: (+/-)-trans-1.2-Dimethoxy-cyclohexan；(1R,2R)-1,2-dimethoxycyclohexane
• CAS: 29887-60-3
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: BSGBGTJQKZSUTQ-HTQZYQBOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  trans-1,2-cyclohexandiol 生成 反式-1,2-二甲氧基环己烷
  参考文献：
  名称：

  Mousseron, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1942, vol. 215, p. 201

  摘要：

  DOI：

文献信息

• [EN] SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS<br/>[FR] QUINAZOLINES SUBSTITUÉES PAR SULFOXIMINE POUR COMPOSITIONS PHARMACEUTIQUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014072244A1

  公开（公告）日：2014-05-15

  This invention relates to novel sulfoximine substituted quinazoline derivatives of formula (I), wherein Ar, R1 and R2 are as defined in the description and claims, and their use as MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) kinase inhibitors, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment or amelioration of MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) mediated disorders.

  这项发明涉及一种新型的配方(I)的磺酰胺取代喹唑啉衍生物，其中Ar、R1和R2如描述和声明中所定义，并且它们作为MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）激酶抑制剂的用途，含有这些化合物的药物组合物，以及将其用作治疗或改善MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）介导的疾病的药剂的方法。
• Gold(III) as an electrophilic oxidant of alkenes
  作者：Richard O. C. Norman、William J. E. Parr、C. Barry Thomas

  DOI：10.1039/p19760000811

  日期：——

  accounted for by a scheme in which gold(III) acts as an electrophile to give an organometallic adduct; this breaks down by heterolysis of the C–Au bond, accompanied by competition between rearrangement of a neighbouring substituent and uptake of a nucleophile. In all cases a close similarity was observed with the products obtained from oxidations by thallium(III) and lead(IV); where divergences occur

  据报道，四氯金酸在甲醇中氧化多种烯烃的产物。通过金（III）作为亲电子试剂产生有机金属加合物的方案令人满意地说明了它们。这通过C–Au键的杂合分解，以及相邻取代基的重排与亲核试剂的吸收之间的竞争而分解。在所有情况下，均观察到与from（III）和铅（IV）氧化得到的产物相似。在发生发散的地方，可以根据金属原子周围的不同配体或金属取代基的不同离去基团的能力来解释它们。
• Trans Dialkoxylation of Cyclic Alkenes: A Prévost-Type Reaction
  作者：J. Herman Schauble、Edward A. Trauffer、Prashant P. Deshpande、Robert D. Evans

  DOI：10.1055/s-2005-865333

  日期：——

  Reaction of anhydrous silver perchlorate, sym-collidine, and iodine (2:1:1 molar ratio) with cyclic alkenes and an excess of an alcohol in CH 2 Cl 2 affords trans-1,2-dialkoxycycloalkanes in high yields and purity. The reaction occurs via initial formation of the trans-iodoethers, which undergo Ag-assisted iodide abstraction to give the trans-diethers.

  无水高氯酸银、sym-可力丁和碘（2:1:1 摩尔比）与环状烯烃和过量醇在 CH 2 Cl 2 中的反应以高产率和纯度提供反式-1,2-二烷氧基环烷烃。该反应通过反式碘醚的初始形成发生，该反式碘醚经过 Ag 辅助的碘化物提取得到反式二醚。
• Conformational Analysis of Cyclohexane-1,2-diol Derivatives and MM3 Parameter Improvement
  作者：GD Rockwell、TB Grindley

  DOI：10.1071/ch9960379

  日期：——

  The positions of the equilibria between the diequatorial and diaxial conformers of trans-1,2-dimethoxycyclohexane (2) and trans-2-methoxycyclohexanol (3) have been measured accurately by 13C n.m.r. spectroscopy at -80°C in a series of solvents ranging from non-polar pentane to highly polar methanol. The equilibria favour the diequatorial conformers under all conditions but the extent increases with solvent polarity and is greater for (3). Improved parameters for the OCCO torsional term in MM3 (94) have been developed (V1, V2, and V3, 3.0, -2.5, 1.25, respectively) by comparison with conformational data for (2) and 1,2-dimethoxyethane (1). Application of the modified parameters to a number of examples demonstrates marked improvement for ethers. These examples include 1,2-dimethoxypropane, for which n.m.r. spectra in (D12) cyclohexane have been analysed and those from the gas phase reevaluated. Lesser improvement was achieved for systems having intramolecular hydrogen bonding. Ab initio results for rotation about the C 5-C 6 bond in pyranosides are satisfactorily reproduced but experimental results favour the gg and tg rotamers over the tg rotamer considerably more than calculated.

  反式-1,2-二甲氧基环己烷（2）和反式-2-甲氧基环己醇（3）在从非极性戊烷到高极性甲醇的一系列溶剂中，通过 13C n.m.r.光谱法精确测量了它们在零下 80 摄氏度的平衡位置。在所有条件下，平衡都有利于模态构象，但平衡的程度随溶剂极性的增加而增加，且(3)的平衡程度更高。通过与(2)和 1,2-二甲氧基乙烷(1)的构象数据进行比较，对 MM3 (94)中的 OCCO 扭转项参数进行了改进（V1、V2 和 V3 分别为 3.0、-2.5 和 1.25）。将修改后的参数应用于一些例子，可以明显改善醚的构象。这些例子包括 1,2-二甲氧基丙烷，对其在 (D12) 环己烷中的 n.m.r. 光谱进行了分析，并对气相中的光谱进行了重新评估。分子内氢键体系的改进较小。 关于吡喃糖苷中 C 5-C 6 键旋转的 Ab initio 结果得到了令人满意的再现，但实验结果比计算结果更倾向于 gg 和 tg 旋转体。
• MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20140194350A1

  公开（公告）日：2014-07-10

  The present invention discloses compounds of Formula I or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明披露了I式化合物或其药学上可接受的盐、酯或前药：其抑制丝氨酸蛋白酶活性，特别是丙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰了丙型肝炎病毒的生命周期，也可用作抗病毒剂。本发明还涉及包含上述化合物的制药组合物，用于治疗患有HCV感染的受试者。本发明还涉及通过给予包含本发明化合物的制药组合物来治疗受试者的HCV感染的方法。

表征谱图