2-甲基丙基十一酸酯 | 62637-96-1

• 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-甲基丙基十一酸酯
• 英文名称: Undecanoic acid, 2-methylpropyl ester
• 英文别名: 2-methylpropyl undecanoate
• CAS: 62637-96-1
• 化学式: C₁₅H₃₀O₂
• 分子量: 242.402
• InChiKey: CTPIEDAGOVPDLZ-UHFFFAOYSA-N

物化性质

• 保留指数：
  1627

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  17
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  、 2-甲基丙基十一酸酯 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以25%的产率得到
  参考文献：
  名称：

  溶血素E的十四种衍生物的全合成和功能评价：阳离子，疏水和芳香部分对抗菌活性的重要性。

  摘要：

  溶血素E（1）是结构复杂的37元十肽，包含12个氨基酸残基，具有N-甲基化酰胺和酯键。化合物1与细菌膜中的甲萘醌（MK）结合，发挥其强大的杀菌活性。破译内这种独特的抗生素的生物学上重要的功能性，我们通过系统地改变侧链结构进行一个全面的结构-活性关系（SAR）研究升-Thr-1，ð -Arg-2，N-ME- d - Phe-5，d -Arg-7，l -Glu-8和d - Trp -10。首先，我们实现的14个新的侧链类似物的全合成1通过采用固相策略。然后，我们通过1及其类似物评估了MK依赖的脂质体破坏和对金黄色葡萄球菌的抗菌活性。脂质体和细菌实验之间的相关数据表明，膜裂解主要是抗菌功能的原因。将d - Arg-2-7的阳离子胍基改变为中性酰胺，将l -Thr-1的C7-酰基取代为C2或C11对应物，其抗菌活性降低了4倍或8倍。更剧烈地是d ‐Trp‐10到d的化学突变‐Ala‐10完全废除了

  DOI：

  10.1002/chem.201604022
• 作为产物：
  描述：

  十一烷酸 、 氯甲酸异丁酯 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 反应 0.5h， 生成 2-甲基丙基十一酸酯
  参考文献：
  名称：

  溶血素E的十四种衍生物的全合成和功能评价：阳离子，疏水和芳香部分对抗菌活性的重要性。

  摘要：

  溶血素E（1）是结构复杂的37元十肽，包含12个氨基酸残基，具有N-甲基化酰胺和酯键。化合物1与细菌膜中的甲萘醌（MK）结合，发挥其强大的杀菌活性。破译内这种独特的抗生素的生物学上重要的功能性，我们通过系统地改变侧链结构进行一个全面的结构-活性关系（SAR）研究升-Thr-1，ð -Arg-2，N-ME- d - Phe-5，d -Arg-7，l -Glu-8和d - Trp -10。首先，我们实现的14个新的侧链类似物的全合成1通过采用固相策略。然后，我们通过1及其类似物评估了MK依赖的脂质体破坏和对金黄色葡萄球菌的抗菌活性。脂质体和细菌实验之间的相关数据表明，膜裂解主要是抗菌功能的原因。将d - Arg-2-7的阳离子胍基改变为中性酰胺，将l -Thr-1的C7-酰基取代为C2或C11对应物，其抗菌活性降低了4倍或8倍。更剧烈地是d ‐Trp‐10到d的化学突变‐Ala‐10完全废除了

  DOI：

  10.1002/chem.201604022

文献信息

• OILY INKJET INK
  申请人：ENDO Toshihiro

  公开号：US20110232528A1

  公开（公告）日：2011-09-29

  An oily inkjet ink comprises a pigment, a dispersant, and a water-insoluble organic solvent, wherein an ester solvent contained in the water-insoluble organic solvent is an ester solvent that is represented by the general formula: C n H x —COO—C m H 2m+1 , in which n represents an integral number falling within the range of 8 to 15, m represents an integral number falling within the range of 4 to 7, and x represents a number falling within the range of 2n−1 to 2n+1. The ester solvent is contained in a containing quantity falling within the range of 10% by mass to 30% by mass with respect to the total quantity of the ink.
• US8366819B2
  申请人：——

  公开号：US8366819B2

  公开（公告）日：2013-02-05
• [EN] NOVEL COMPOUNDS SUITED AS DIESEL SUPPLEMENTS AND DIESEL SUBSTITUTES AND ROUTES FOR THEIR SYNTHESIS<br/>[FR] NOUVEAUX COMPOSÉS APPROPRIÉS COMME COMPLÉMENTS ET SUBSTITUTS POUR DIESEL ET VOIES DE SYNTHÈSE ASSOCIÉES
  申请人：ETH ZUERICH

  公开号：WO2010115578A2

  公开（公告）日：2010-10-14

  Novel Diesel substitutes or supplements as well as routes for their synthesis are disclosed. The subject compounds comprise esters assembled from a fatty acid and an alcohol component. According to the invention, the fatty acid component of the esters is selected from the list of nonanoic acid, decanoic acid, undecanoic acid, dodecanoic acid, tridecanoic acid, tetradecanoic acid, and pentadecanoic acid, hexadecanoic acid, heptadecanoic acid, and ocatadecanoic aicd while the alcohol component is selected from the list of ethanol, 1- propanol, 2-propanol, 2-methylpropanol, 1-butanol, or 2-butanol. The disclosed compounds are highly chemically stable and solve the dilemma between deteriorating auto-ignition properties and cetane numbers of Diesel fuel compounds at improved suitability for application at cold-temperatures. Furthermore, methods for synthesis of the said compounds are provided. In one embodiment, the fatty acid component of the disclosed esters are synthesized by a single process from renewable feed stocks such as plant material, municipal, industrial or agricultural waste and by aid of microbial catalysts or fermentation while the alcohol component is synthesized by another process by means of petro-chemistry or microbial catalysis. In one embodiment, the ester is then formed in a third process and while using biological or chemical catalysts while in another embodiment the alcohol is added to the microbial process employed for synthesis of the fatty acid component and the fatty acid ester is then formed concomitant to the microbial catalyzed fatty acid synthesis. In yet another embodiment, the esters are synthesized directly, i.e. in a single process, from renewable resources and by aid of a microbial biocatalyst. The methods for synthesis of the disclosed compounds solve the problem of high cost and low availability of fatty acid esters.
• Total Synthesis and Functional Evaluation of Fourteen Derivatives of Lysocin E: Importance of Cationic, Hydrophobic, and Aromatic Moieties for Antibacterial Activity
  作者：Takuya Kaji、Motoki Murai、Hiroaki Itoh、Jyunichiro Yasukawa、Hiroshi Hamamoto、Kazuhisa Sekimizu、Masayuki Inoue

  DOI：10.1002/chem.201604022

  日期：2016.11.14

  First, we achieved total synthesis of the 14 new side‐chain analogues of 1 by employing a solid‐phase strategy. We then evaluated the MK‐dependent liposomal disruption and antimicrobial activity against Staphylococcus aureus by 1 and its analogues. Correlating data between the liposome and bacteria experiments revealed that membrane lysis was mainly responsible for the antibacterial functions. Altering

  溶血素E（1）是结构复杂的37元十肽，包含12个氨基酸残基，具有N-甲基化酰胺和酯键。化合物1与细菌膜中的甲萘醌（MK）结合，发挥其强大的杀菌活性。破译内这种独特的抗生素的生物学上重要的功能性，我们通过系统地改变侧链结构进行一个全面的结构-活性关系（SAR）研究升-Thr-1，ð -Arg-2，N-ME- d - Phe-5，d -Arg-7，l -Glu-8和d - Trp -10。首先，我们实现的14个新的侧链类似物的全合成1通过采用固相策略。然后，我们通过1及其类似物评估了MK依赖的脂质体破坏和对金黄色葡萄球菌的抗菌活性。脂质体和细菌实验之间的相关数据表明，膜裂解主要是抗菌功能的原因。将d - Arg-2-7的阳离子胍基改变为中性酰胺，将l -Thr-1的C7-酰基取代为C2或C11对应物，其抗菌活性降低了4倍或8倍。更剧烈地是d ‐Trp‐10到d的化学突变‐Ala‐10完全废除了