2-己基-1,4-丁二醇 | 18755-31-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-己基-1,4-丁二醇
• 英文名称: 2-(n-hexyl)butane-1,4-diol
• 英文别名: 3-hydroxymethyl-1-nonanol；2-hexyl-1,4-butanediol；2-hexyl-butane-1,4-diol；2-Hexyl-butandiol-(1,4)；2-Pentyl-butan-1,4-diol；2-Hexylbutandiol-1,4；1,4-Butanediol, 2-hexyl-；2-hexylbutane-1,4-diol
• CAS: 18755-31-2
• 化学式: C₁₀H₂₂O₂
• 分子量: 174.283
• InChiKey: WOEATUVURMLOMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-己基-1,4-丁二醇 、 甲氧基-三氟甲基苯 以10%的产率得到
  参考文献：
  名称：

  通过ALET不对称烯烃cycloalumination 3，催化用neomenthylindenyl锆η 5 -complexes

  摘要：

  纸张致力于末端烯烃cycloalumination的反应通过ALET研究3（对具有neomenthylindenyl锆络合物催化小号）（对小号） -双[ η 5 - [1 - [（1小号，2小号，5 [R）-2-异丙基-5- methylcycloh-exyl]茚基]二氯化锆（1）或（对小号） - （η 5 -环戊二烯基）[ η 5 - [1 - [（1小号，2小号，5 R）-2-异丙基-5-甲基环己基]茚基]]二氯化锆（2）。结果表明，烯烃和催化剂的结构以及溶剂影响了反应产物3-烷基取代的氧化铝环戊烷的总产率和对映体过量。在烃类溶剂中，末端烯烃与配合物1催化的AlEt 3的反应主要产生环状有机铝化合物的S-对映异构体，其对映体过量最高可达37％。配合物2显示较小的立体诱导作用，并提供具有6–26％ee的氧化铝环戊烷的R对映异构体。 显示了含硒的衍生试剂（R）-2-苯基硒基丙酸对由环状有机铝化合物制得的β-烷基-1

  DOI：

  10.1016/j.jorganchem.2012.10.021
• 作为产物：
  描述：

  2-hexylsuccinic acid 在 lithium aluminium tetrahydride 、 硫酸 作用下， 以 乙醚 、 苯 为溶剂， 反应 14.0h， 生成 2-己基-1,4-丁二醇
  参考文献：
  名称：

  Inhibition of liver alcohol dehydrogenase and ethanol metabolism by 3-substituted thiolane 1-oxides

  摘要：

  3-Substituted thiolane 1-oxides (methyl, n-butyl, n-hexyl, and phenyl) were prepared and tested as inhibitors of horse, monkey, and rat liver alcohol dehydrogenases and of ethanol metabolism in rats. These compounds inhibit alcohol oxidation in an uncompetitive manner with respect to ethanol as a varied substrate. Lengthening the alkyl substituent increased the inhibitory potency because of tighter binding in the hydrophobic substrate binding pocket of the alcohol dehydrogenases. Thus, the 3-hexyl derivative was the most potent inhibitor of the purified rat liver alcohol dehydrogenase, with a Kii value of 0.13 microM. The 3-butyl derivative was the best inhibitor of ethanol metabolism in rats, with a Kii value of 11 mumol/kg. The acute toxicity in mice of the butyl derivative was 1.4 mmol/kg. Since high concentrations of alcohol do not prevent the inhibitory effects of these compounds, they may be particularly useful for preventing poisoning by methanol or ethylene glycol.

  DOI：

  10.1021/jm00379a009

文献信息

• Regio‐ and Stereoselective Homologation of 1,2‐Bis(Boronic Esters): Stereocontrolled Synthesis of 1,3‐Diols and Sch 725674
  作者：Alexander Fawcett、Dominik Nitsch、Muhammad Ali、Joseph M. Bateman、Eddie L. Myers、Varinder K. Aggarwal

  DOI：10.1002/anie.201608406

  日期：2016.11.14

  1,2-Bis(boronic esters), derived from the enantioselective diboration of terminal alkenes, can be selectively homologated at the primary boronic ester by using enantioenriched primary/secondary lithiated carbamates or benzoates to give 1,3-bis(boronic esters), which can be subsequently oxidized to the corresponding secondary-secondary and secondary-tertiary 1,3-diols with full stereocontrol. The transformation

  1,2-双(硼酸酯)衍生自末端烯烃的对映选择性二硼化，可以通过使用对映体富集的伯/仲锂化氨基甲酸酯或苯甲酸酯在伯硼酸酯上选择性同系化，得到1,3-双(硼酸酯)，随后可以完全立体控制地氧化成相应的仲-仲和仲-叔1,3-二醇。该转化应用于 14 元大环内酯 Sch 725674 的简明全合成。九步合成路线还具有二乙烯基甲醇衍生物的新型去对称对映选择性二硼化反应以及高产后期交叉复分解和 Yamaguchi 大环内酯化的特点反应。
• IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS
  申请人：Kallus Christopher

  公开号：US20070129341A1

  公开（公告）日：2007-06-07

  The present invention relates to compounds of formula (I) which are inhibitors of the activated thrombin-activatable fibrinolysis inhibitor. The compounds of formula (I) are suited for producing medicaments for the prevention and treatment of diseases accompanied by thromboses, embolisms, hypercoagulability or fibrotic changes.

  本发明涉及式(I)的化合物，这些化合物是活化凝血酶可激活纤溶抑制剂的抑制剂。式(I)的化合物适用于生产用于预防和治疗伴随有血栓形成、栓塞、高凝状态或纤维化变化的疾病的药物。
• PHENOTHIAZIN DERIVATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS PHARMACEUTICALS
  申请人：KEIL Stefanie

  公开号：US20090325942A1

  公开（公告）日：2009-12-31

  The invention relates to compounds of the formula 1, wherein R1, R2, R3, R4, R5, R6, R7, A and B are as defined herein, the pharmaceutical compositions and the uses as pharmaceuticals.

  这项发明涉及公式1的化合物，其中R1、R2、R3、R4、R5、R6、R7、A和B如本文所定义，以及作为药物的药物组合物和用途。
• OXATHIAZINE DERIVATIVES SUBSTITUTED WITH CARBOCYCLES OR HETEROCYCLES, METHOD FOR PRODUCING SAME, DRUGS CONTAINING SAID COMPOUNDS, AND USE THEREOF
  申请人：Boehme Thomas

  公开号：US20130345128A1

  公开（公告）日：2013-12-26

  The invention relates to the compounds of formula (I) and physiologically acceptable salts thereof. The compounds are suitable, e.g., for treating hyperglycemia.

  这项发明涉及公式(I)的化合物及其生理上可接受的盐。这些化合物适用于治疗高血糖等疾病。
• BRANCHED OXATHIAZINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND USE THEREOF
  申请人：Boehme Thomas

  公开号：US20130345126A1

  公开（公告）日：2013-12-26

  The invention relates to compounds of formula (I) and to the physiologically compatible salts thereof. Said compounds are suitable, for example, for treating hyperglycemia.

  该发明涉及公式(I)的化合物及其生理相容盐。所述化合物适用于治疗高血糖，例如。

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