(R)-3-甲基庚酸甲酯 | 99439-80-2

• 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: (R)-3-甲基庚酸甲酯
• 英文名称: (R)-3-methylheptanoic acid methyl ester
• 英文别名: (R)-(+)-methyl 3-methylheptanoate；(R)-methyl 3-methylheptanoate；methyl(3R)-3-methylheptanoate；Methyl (R)-3-methylheptanoate；methyl (3R)-3-methylheptanoate
• CAS: 99439-80-2
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: GZLDPMXJNRMXQC-MRVPVSSYSA-N

物化性质

• 沸点：
  176.5±8.0 °C(Predicted)
• 密度：
  0.874±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  (R)-3-甲基庚酸甲酯 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 3-甲基庚酸
  参考文献：
  名称：

  Asymmetric conjugate addition of organometallic reagents to chiral vinyl sulfoximines

  摘要：

  DOI：

  10.1021/jo00351a017
• 作为产物：
  描述：

  (2S)-2-hexyl-4'-methylbenzenesulfonate 在 水 、 sodium hydride 、 lithium chloride 作用下， 以 乙二醇二甲醚 、 二甲基亚砜 为溶剂， 反应 3.5h， 生成 (R)-3-甲基庚酸甲酯
  参考文献：
  名称：

  Stereospecific inversion of secondary tosylates to yield chiral methyl-branched building blocks, applied to the asymmetric synthesis of leafminer sex pheromones

  摘要：

  All four of the possible stereoisomers of 5,9-dimethylheptadecane, the major sex pheromone component secreted by female moths of the mountain-ash bentwing (Leucoptera scitella), were synthesized by the coupling of two chiral blocks with a methyl branch at the 2- or 3-position. The blocks were prepared by applying the stereospecific inversion of secondary tosylates, which were derived from (R)- and (S)-propylene oxide, and their enantiopurities were confirmed by chiral HPLC analysis. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2012.05.023

文献信息

• Asymmetric Conjugate Silyl Transfer in Iterative Catalytic Sequences: Synthesis of the C7-C16 Fragment of (+)-Neopeltolide
  作者：Eduard Hartmann、Martin Oestreich

  DOI：10.1002/anie.201002916

  日期：2010.8.16

  that is not the question! The anti,anti configuration of the C7–C16 fragment of (+)‐neopeltolide is stereoselectively installed in an iterative sequence of catalyst‐controlled Si group and Me group transfers, even with mismatched selectivity in the former (Si=Me2PhSi, see scheme; TBS=tert‐butyldimethylsilyl).

  匹配或不匹配，这不是问题！（+）-新油菜碱内酯的C7–C16片段的抗，抗构象被立体选择性地安装在催化剂控制的Si基团和Me基团转移的迭代序列中，即使前者的选择性不匹配（Si = Me 2 PhSi，请参见方案; TBS =叔丁基二甲基甲硅烷基）。
• Optically active compound, liquid crystal composition containing the
  申请人：Takasago International Corporation

  公开号：US06093345A1

  公开（公告）日：2000-07-25

  An optically active compound represented by formula (I): wherein A represents ##STR1## wherein R.sup.2 represents an alkyl group having from 8 to 12 carbon atoms; R.sup.1 represents a straight chain alkyl group having from 2 to 5 carbon atoms; X represents a fluorine atom or a methyl group; n represents 1 or 2; m represents an integer of from 0 to 3; and C* represents an asymmetric carbon atom, and a liquid crystal composition containing the same are disclosed. The compound exhibits large spontaneous polarization and low viscosity and, when added to an achiral base liquid crystal composition, induces a chiral nematic phase in which the helical pitch has small temperature dependence.

  公式（I）表示的一种光学活性化合物：其中A表示##STR1##其中R.sup.2表示具有8至12个碳原子的烷基；R.sup.1表示具有2至5个碳原子的直链烷基；X表示氟原子或甲基基团；n表示1或2；m表示0至3的整数；C*表示一个不对称碳原子，以及包含该化合物的液晶组合物。该化合物表现出大的自发极化和低粘度，并且当添加到无手性基础液晶组合物中时，在其中诱导出具有小温度依赖性的螺旋向列相。
• BETA-AMINO ACIDS
  申请人：Gellman Samuel H.

  公开号：US20130023644A1

  公开（公告）日：2013-01-24

  Disclosed are β-amino acid monomers containing cylcoalkyl, cycloalkenyl, and heterocylic substituents which encompass the α and β carbons of the peptide backbone and β-polypeptides made from such monomers. Method of generating combinatorial libraries of polypeptides containing the β-peptide residues and libraries formed thereby are disclosed.

  本发明公开了含有环烷基，环烯基和杂环基取代基的β-氨基酸单体，这些取代基包括多肽骨架的α和β碳，以及由这些单体制成的β-多肽。本发明还公开了生成含有β-肽残基的多肽组合库的方法以及由此形成的库。
• The First Synthesis of Spirocyclic Sulfates from Tertiary Cyclopropanols and Their Reaction with Normant Homocuprates
  作者：Denis Shklyaruck、Artsiom Fedarkevich、Yurii Kozyrkov

  DOI：10.1055/s-0034-1378343

  日期：——
• Copper‐Catalyzed Enantioselective Conjugate Addition of Grignard Reagents to α,β‐Unsaturated Esters
  作者：Fernando López、Syuzanna R. Harutyunyan、Auke Meetsma、Adriaan J. Minnaard、Ben L. Feringa

  DOI：10.1002/anie.200500317

  日期：2005.4.29