cis-4-<(benzyloxy)methyl>-1-cyclohexanol | 137946-40-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: cis-4-<(benzyloxy)methyl>-1-cyclohexanol
• 英文别名: cis-4-(benzyloxymethyl)cyclohexanol；cis-4-[(benzyloxy)methyl]-1-cyclohexanol
• CAS: 137946-40-8
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: CCUBPGGTUWZZFQ-OKILXGFUSA-N

物化性质

• 沸点：
  332.5±15.0 °C(Predicted)
• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  t-4-bromo-3-hydroxy-r-1-cyclohexanecarboxylic acid 在 sodium hydroxide 、 lithium aluminium tetrahydride 、 dimethyl sulfide borane 、 sodium hydride 作用下， 以 四氢呋喃 、 异丙醇 、 正戊烷 为溶剂， 反应 51.0h， 生成 cis-4-<(benzyloxy)methyl>-1-cyclohexanol
  参考文献：
  名称：

  Regiochemical control of the ring-opening of 1,2-epoxides by means of chelating processes. 2. Synthesis and reactions of the cis- and trans-oxides of 4-[(benzyloxy)methyl]cyclohexene, 3-cyclohexenemethanol, and methyl 3-cyclohexenecarboxylate

  摘要：

  The synthesis of the diastereoisomeric epoxides cis-1b-d and trans-2b-d and the products of their ring-opening by various nucleophiles are described. The results of the ring-openings of the trans-epoxides 2b-d can be rationalized by combining stereoelectronic and conformational arguments. However, the regioselectivity of the ring-openings of the cis-epoxides 1b-d can, in principle, be influenced by the chelation of a metal ion by the oxygen atom of the epoxy group and that of the substituent on the 4-position. The results of the reactions of the cis-epoxides 1b-d indicate that, to some degree, chelation is indeed a factor. How important a factor it is is dependent both on the reaction conditions and on the concentration and nature of the metal ion. In the ring-openings of the cis-epoxides 1b and 1d, chelation seems to be a larger factor than it is in the ring-openings of cis-epoxide 1c. However, in no case is chelation as large a factor as it was in the ring-openings of the cis-epoxide 1a, which was studied earlier. On the other hand, the autocatalyzed methanolysis, under neutral conditions, of epoxy acid 1e, followed by CH2N2 methylation of the crude product, afforded a mixture of the two regioisomeric hydroxy ethers in which the C-2-type compound predominates. This result suggests that intramolecular hydrogen bonding may determine the reactive conformation of 1e.

  DOI：

  10.1021/jo00031a018

文献信息

• 3H-thieno[3,4]pyrimidin-4-one and pyrrolopyrimidone as gram-positive antibacterial agents
  申请人：LABORATOIRE BIODIM

  公开号：EP2913333A1

  公开（公告）日：2015-09-02

  The invention relates to novel heteroaromatic derivatives of formula (I) and their addition salts thereof with acids and bases; their preparation, their use as drugs and pharmaceutical compositions and associations containing them. wherein A, B, T, V, X and Y represent organic substituents as defined herein, The compounds of formula (I) are able to inhibit the activity of the Gram-positive bacterial DltA enzyme and they are used to prevent and/or treat Gram-positive bacterial infections in humans or animals, alone or in association with antibacterials, antivirulence agents or drugs reinforcing the host innate immunity,

  本发明涉及式（I）的新型杂芳香族衍生物及其与酸和碱的加成盐；它们的制备、作为药物和药物组合物的用途以及含有它们的组合物。 其中 A、B、T、V、X 和 Y 代表本文定义的有机取代基、 式（I）化合物能够抑制革兰氏阳性菌 DltA 酶的活性，它们可单独或与抗菌剂、抗病毒剂或增强宿主先天免疫力的药物一起用于预防和/或治疗人或动物的革兰氏阳性菌感染、
• [EN] 3H-THIENO[3,4]PYRIMIDIN-4-ONEAND PYRROLOPYRIMID-4-ONE AS GRAM-POSITIVE ANTIBACTERIAL AGENTS<br/>[FR] 3H-THIÉNO[3,4]PYRIMIDIN-4-ONE ET PYRROLOPYRIMID-4-ONE UTILISÉES COMME AGENTS ANTIBACTÉRIENS CONTRE LES BACTÉRIES À GRAM POSITIF
  申请人：BIODIM LAB

  公开号：WO2015128334A9

  公开（公告）日：2015-10-15