3-methyl-3-(octyloxy)but-1-ene

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methyl-3-(octyloxy)but-1-ene
• 化学式: C₁₃H₂₆O
• 分子量: 198.349
• InChiKey: RRJMTMVWYBROHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.33
• 重原子数：
  14.0
• 可旋转键数：
  9.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  3-methyl-3-(octyloxy)but-1-ene 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以79%的产率得到
  参考文献：
  名称：

  Effects of alkyl side chains and terminal hydrophilicity on vitamin D receptor (VDR) agonistic activity based on the diphenylpentane skeleton

  摘要：

  Vitamin D receptor (VDR) is a family of nuclear receptors (NR) that regulates physiological effects such as the immune system, calcium homeostasis, and cell proliferation. We synthesized non-secosteroidal VDR ligands bearing a long alkyl chain based on the diphenylpentane skeleton. The VDR-mediated transcriptional activities of the synthesized compounds were evaluated using a reporter gene assay and HL-60 cell differentiation-inducing assay. We herein described the structure-activity relationship and effects of alkyl-chain length on VDR-mediated transcriptional activity. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.09.030
• 作为产物：
  描述：

  2-甲基-3-丁烯-2-醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 18-冠醚-6 、 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 以30%的产率得到3-methyl-3-(octyloxy)but-1-ene
  参考文献：
  名称：

  Effects of alkyl side chains and terminal hydrophilicity on vitamin D receptor (VDR) agonistic activity based on the diphenylpentane skeleton

  摘要：

  Vitamin D receptor (VDR) is a family of nuclear receptors (NR) that regulates physiological effects such as the immune system, calcium homeostasis, and cell proliferation. We synthesized non-secosteroidal VDR ligands bearing a long alkyl chain based on the diphenylpentane skeleton. The VDR-mediated transcriptional activities of the synthesized compounds were evaluated using a reporter gene assay and HL-60 cell differentiation-inducing assay. We herein described the structure-activity relationship and effects of alkyl-chain length on VDR-mediated transcriptional activity. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.09.030

文献信息

• <i>o</i>-Benzenedisulfonimide as Reusable Brønsted Acid Catalyst for Acid-Catalyzed Organic Reactions
  作者：Margherita Barbero、Silvano Cadamuro、Stefano Dughera、Paolo Venturello

  DOI：10.1055/s-2008-1072564

  日期：2008.5

  Acid-catalyzed organic reactions, such as etherification, esterification, acetal synthesis, cleavage, and interconversion, and pinacol rearrangement were carried out in the presence of catalytic amounts of o-benzenedisulfonimide as Bronsted acid catalyst; the conditions were mild and selective. The catalyst was easily recovered and purified, ready to be used in further reactions, with economic and ecological

  酸催化的有机反应，如醚化、酯化、缩醛合成、裂解、互变、频哪醇重排等，在催化量的邻苯二磺酰亚胺作为布朗斯台德酸催化剂存在下进行；条件温和且有选择性。该催化剂易于回收和纯化，可用于进一步反应，具有经济和生态优势。
• Kinetics and Mechanism of Monomolecular Heterolysis of Commercial Organohalogen Compounds: XLI. Solvent Effect on the Rate of 3-Methyl-3-chloro-1-butene Solvolysis. Correlation Analysis of Solvation Effects and Role of Solvent Nucleophilicity
  作者：N. E. Ponomarev、V. V. Zaliznyi、G. F. Dvorko

  DOI：10.1007/s11176-005-0441-5

  日期：2005.9

  The kinetics of 3-methyl-3-chloro-1-butene solvolysis at 25°C in MeOH, EtOH, BuOH, i -BuOH, PentOH, 2-PrOH, 2-BuOH, HexOH, OctOH, t -BuOH, t -PentOH, cyclohexanol, and allyl alcohol was studied by the verdazyl method; v = k [C5H9Cl], SN1 + E1 mechanism. The reaction rate shows a satisfactory correlation with the parameter of the solvent ionizing power E T and is independent of the solvent nucleophilicity

  3-甲基-3-氯-1-丁烯的溶剂分解，在25℃于MeOH中，EtOH中，丁醇，动力学 我 -BuOH，PentOH，2-异丙醇，2-丁醇，乙基己醇，OctOH， 吨 -BuOH， 吨 -五苯酚，环己醇和烯丙醇通过凡达唑方法进行了研究； v = k [C 5 H 9 Cl]，SN1 + E1机制。反应速率显示出与溶剂电离能力 E T 的参数令人满意的相关性， 并且与溶剂的亲核性无关。
• Kinetics and mechanism of monomolecular heterolysis of commercial organohalogen compounds: XLIII. Solvent effect on activation parameters of dehydrochlorination of 3-chloro-3-methylbut-1-ene. Correlation analysis of solvation effects
  作者：N. E. Ponomarev、V. V. Zaliznyi、G. F. Dvorko

  DOI：10.1134/s1070363207070110

  日期：2007.7

  The influence of temperature on the rate of dehydrochlorination of 3-chloro-3-methylbut-1-ene in 17 aprotic and 13 protic solvents, nu = k[C5H9Cl], was studied by the verdazyl method. In aprotic solvents, the electrophilicity, ionizing power, and cohesion of solvents decrease Delta G(not equal) by increasing Delta S-not equal. The nucleophilicity and polarizability increase both Delta H-not equal and Delta S-not equal to equal extent and therefore do not affect Delta G(not equal). In protic solvents, the solvent nucleophilicity increases Delta H-not equal to a greater extent than Delta S-not equal, and the overall effect of the nucleophilic solvation is small and negative.