7-甲基辛基丁酸酯 | 93804-81-0

• 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: 7-甲基辛基丁酸酯
• 英文名称: 3,7-dimethyl octyl propionate
• 英文别名: 3,7-Dimethyl-1-octyl propionate；3,7-dimethyloctyl propanoate
• CAS: 93804-81-0
• 化学式: C₁₃H₂₆O₂
• 分子量: 214.348
• InChiKey: BKEKBSRLRWINPN-UHFFFAOYSA-N

物化性质

• 熔点：
  -51°C (estimate)
• 沸点：
  254.49°C (estimate)
• 密度：
  0.8629 (estimate)
• LogP：
  5.123 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915509000

反应信息

• 作为产物：
  描述：

  香茅醇 在 5%-palladium/activated carbon 、 氢气 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 40.0 ℃ 、1.0 MPa 条件下， 反应 21.0h， 生成 7-甲基辛基丁酸酯
  参考文献：
  名称：

  量身定制的N杂环卡宾，用于稳定纳米粒子。

  摘要：

  N-杂环卡宾（NHC）代表有机金属化学中的一类主要配体，但很少被用作金属纳米粒子（NP）的稳定剂。我们报告了NHC稳定的Pd-NPs的第一个例子，该例子证明了其长期稳定性。这些NHC Pd-NP通过合理的配体交换方案，使用合理设计的长链NHC（LC-NHC）合成。此外，我们证明了Pd-NPs的表面修饰在模型反应中会导致明显的化学选择性。

  DOI：

  10.1039/c4cc00654b

文献信息

• Terpene Cyclizations inside a Supramolecular Catalyst: Leaving-Group-Controlled Product Selectivity and Mechanistic Studies
  作者：Qi Zhang、Lorenzo Catti、Jürgen Pleiss、Konrad Tiefenbacher

  DOI：10.1021/jacs.7b04480

  日期：2017.8.23

  mechanistic investigation was performed to elucidate the reaction mechanism. For the cyclization of geranyl acetate, it was found that the cleavage of the leaving group is the rate-determining step. Furthermore, the studies revealed that trace amounts of acid are required as cocatalyst. A series of control experiments demonstrate that a synergistic interplay between the supramolecular capsule and the

  从头到尾的萜烯环化可以说是自然界中最复杂的反应之一。氢键基间苯二甲烯胶囊代表了第一个能够催化该反应的人造酶样催化剂。基于胶囊和底物之间的非共价相互作用，可以通过使用不同的离去基团来调节产物的选择性。进行了详细的机理研究以阐明反应机理。对于乙酸香叶酯的环化，发现离去基团的裂解是决定速率的步骤。此外，研究表明需要痕量的酸作为助催化剂。一系列对照实验表明，超分子胶囊和酸痕迹之间的协同相互作用是催化活性所必需的。
• Synthesis and Effect of Two New Penetration Enhancers on the Transdermal Delivery of 5-Fluorouracil through Excised Rat Skin.
  作者：Raja Muhammad HANIF、Ping QINENG、Muo FENZHU

  DOI：10.1248/cpb.46.1428

  日期：——

  penetration-enhancing effect of the new enhancers were compared with THG and Azone in vitro using excised rat skin in modified Franz-type diffusion cells. 5-Fluorouracil (5-FU), a hydrophilic drug with poor skin permeability was used as a model permeant. Skin samples were pretreated with pure liquid enhancers for 12 h. 5-FU flux through the control and enhancer-treated skin increased linearly with its concentration

  四氢香叶醇（THG）衍生物乙基-（3,7-二甲基辛基硫代）乙酸乙酯（EDOTA）是通过使四氢香叶基溴化物（由40％氢溴酸和浓硫酸反应制得）与2-巯基乙酸乙酯反应制得的，而3在环己烷和浓硫酸的存在下，THG与丙酸反应，通过普通的酯化反应合成了7,7-丙酸二甲基辛酯（DOP）。在改良的Franz型扩散细胞中，使用切除的大鼠皮肤将新增强剂的渗透增强作用与THG和Azone进行了体外比较。使用5-氟尿嘧啶（5-FU）（一种皮肤渗透性较差的亲水性药物）作为模型渗透剂。皮肤样品用纯净液体增强剂预处理12小时。通过对照和增强剂处理的皮肤的5-FU流量随其在受体区室中的浓度线性增加。EDOTA和DOP与皮肤迅速相互作用（<2h），作用时间至少为24 h。发现5-FU的通量值存在显着差异；EDOTA和DOP分别提高了药物的渗透率约6倍和11倍。这些增强剂获得增加的分配系数和扩散系数值。结果表明，皮肤中，尤其
• Preparative production of optically active esters and alcohols using esterase-catalyzed stereospecific transesterification in organic media
  作者：Bernard Cambou、Alexander M. Klibanov

  DOI：10.1021/ja00321a033

  日期：1984.5
• BISACYLPHOSPHANES AND THEIR USE AS PHOTOINITIATORS; PROCESS FOR PREPARING ACYLPHOSPHANES
  申请人：BASF SE

  公开号：EP1814891B1

  公开（公告）日：2011-01-26
• Process for Preparing Acylphosphanes and Derivatives Thereof
  申请人：Murer Peter

  公开号：US20080004464A1

  公开（公告）日：2008-01-03

  The invention relates to a process for the preparation of (bis)acylphosphanes of formula I, wherein n and m are each independently of the other 1 or 2; R1 if n=1, is e.g. unsubstituted or substituted C 1 -C 18 alkyl or C 2 -C 18 alkenyl, or phenyl, R1 if n=2, is e.g. a divalent radical of the monovalent radical defined above; R2 is e.g. C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 2 -C 18 alkenyl, mesityl, phenyl, naphthyl; R3 is one of the radicals defined under R 1 ; the process comprises the steps a) contacting e.g. elemental phosphorous [P]∞, P(Hal) 3 with a reducing metal optionally in the presence of a catalyst or an activator in a solvent to obtain metal phosphides Me 3 P or Me′ 3 P 2 , wherein Me is an alkali metal and Me′ is an earth alkali metal or to obtain metal polyphosphides b) optionally adding a proton source, optionally in the presence of a catalyst or an activator to obtain metal dihydrogen phosphides MePH 2 ; c) subsequent acylation reaction with m acid halides of formula III or m carboxylic acid esters of formula IV or, in case that in formula I m=1, with one carboxylic ester of formula IV followed by one acid halide of formula III or vice versa, wherein R is the residue of an alcohol and R 2 is as defined above; d) alkylation reaction subsequent reaction with an electrophilic agent R 1 Hal or other electrophilic agents to obtain the compounds of formula I. An oxidation step may follow to obtain mono- and bisacylphosphane oxides or mono- and bisacylphosphane sulfides, which are used as photoinitiators.