丙烷-2-基庚酸酯 | 34997-46-1

• 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: 丙烷-2-基庚酸酯
• 英文名称: heptanoate d'isopropyle
• 英文别名: isopropyl heptanoate；heptanoic acid isopropyl ester；Heptansaeure-isopropylester；Heptanoic acid, 1-methylethyl ester；propan-2-yl heptanoate
• CAS: 34997-46-1
• 化学式: C₁₀H₂₀O₂
• 分子量: 172.268
• InChiKey: RMQUEHVMCJEEOS-UHFFFAOYSA-N

物化性质

• 保留指数：
  1120

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  丙烷-2-基庚酸酯 、 叔丁醇 在 吡啶 、 二碘硅烷 、 碘 作用下， 生成 庚酸叔丁酯
  参考文献：
  名称：

  Diiodosilane. 3. Direct synthesis of acyl iodides from carboxylic acids, esters, lactones, acyl chlorides and anhydrides

  摘要：

  DOI：

  10.1021/jo00299a042
• 作为产物：
  描述：

  庚酸 、 alkaline earth salt of/the/ methylsulfuric acid 在 甲苯 作用下， 生成 丙烷-2-基庚酸酯
  参考文献：
  名称：

  Polymeric organic aluminum oxides and method for preparing same

  摘要：

  公开号：

  US02744074A1

文献信息

• Kinetics and Mechanisms of Homogeneous Catalytic Reactions. Part 12. Hydroalcoxycarbonylation of 1-Hexene Using Palladium/Triphenylphosphine Systems as Catalyst Precursors
  作者：Merlín Rosales、Inés Pacheco、Jairo Medina、Juan Fernández、Ángel González、Rodolfo Izquierdo、Luis G. Melean、Pablo J. Baricelli

  DOI：10.1007/s10562-014-1335-0

  日期：2014.10

  concentration; for olefin concentration was found a saturation curve. These kinetic results, together with coordination chemistry and computational DFT studies, allow us to propose a catalytic cycle involving species of the type [Pd(H)(L)(PPh3)2]+n (L = Cl, n = 0; L = CO, MeOH, olefin and PPh3, n = 1) as the catalytically active species and three sequential reactions: (1) olefin insertion into the Pd–H bond to

  在 m 当量的对甲苯磺酸 (TSA)、PdCl2/nPPh3/mTSA（n 和 m 在 2 和 10 之间变化）存在下，通过将 n 当量的三苯基膦添加到二氯化钯中而原位制备的系统用作预催化剂用于在温和的反应条件下，烯烃羰基化（1-己烯、环己烯和苯乙烯）与醇（MeOH、EtOH、n-PrOH 和 i-PrOH）生成相应的酯（氢化烷氧基羰基化）。对于甲醇存在下的 1-己烯羰基化（1-己烯氢甲氧基羰基化），在 P(CO) = 50 atm 和 T = 125 °C 下，最活跃的系统是 PdCl2/6PPh3/5TSA，它对于其他的氢甲氧基羰基化也有活性。烯烃（1-己烯 > 苯乙烯 > 环己烯）。该系统对 1-己烯的线性产物和苯乙烯的支化产物具有区域选择性。PdCl2/6PPh3/5TSA 催化的 1-己烯氢甲氧基羰基化的动力学研究表明，初始反应速率 (ro) 是 Pd 和 MeOH 浓度的一级和
• Etude de la reaction chlorocarbene-acetals de cetenes
  作者：G. Rousseau、N. Slougui

  DOI：10.1016/s0040-4020(01)96367-7

  日期：1985.1

  with ketene alkylsilyl acetals. The best stereoselectivity was generally observed with the dimethyl tertiobutylsilyloxy group. With the chlorocarbenoid, using an E ketene acetal we obtained in majority (8̃0%) an E α,β-ethylenic ester and using a Z ketene acetal we obtained in majority (7̃0%) a Z α,β-ethylenic ester. In the case of the chloromethyl carbenoid the two ketene acetal isomers led to the same

  我们已经研究了氯和氯甲基类胡萝卜素与乙烯酮烷基甲硅烷基缩醛的加成反应的立体选择性。通常在二甲基叔丁基甲硅烷基氧基上观察到最佳的立体选择性。与chlorocarbenoid，使用缩醛我们在大多数（80％）的E得到的E烯酮α，β -ethylenic酯和使用缩醛我们在大多数（70％）为Z得到为Z烯酮α，β -ethylenic酯。在氯的情况下卡宾导致相同的E两个烯酮缩醛异构体α取代的α，β -ethylenic酯（选择性88％）。与氯苯基类固醇，形成9̃0％的Eα苯基观察到α，β-乙烯酯。
• Pyrrolopyridazinone Compound
  申请人：Hagihara Masahiko

  公开号：US20090036453A1

  公开（公告）日：2009-02-05

  The present invention discloses a pyrrolopyridazinone compound represented by the formula (1): wherein R 1 represents C 1 -C 2 alkyl group or halogeno C 1 -C 2 alkyl group, R 2 repersents C 3 -C 5 cycloalkyl group, (C 3 -C 5 cycloalkyl)C 1 -C 2 alkyl group or C 1 -C 3 alkyl group, R 3 represents hydrogen atom, or methylene group or cis-vinylene group for forming substituted oxygen-containing hetero ring in combination with group —O—R 2 , R 4 represents hydrogen atom, halogen atom, C 1 -C 8 alkyl group, C 2 -C 6 alkenyl group, C 2 -C 6 alkynyl group, hydroxy C 3 -C 6 alkenyl group, hydroxy C 3 -C 6 alkynyl group, C 1 -C 6 alkyl group substituted by substituent(s) selected from Substituent group (a), C 3 -C 6 cycloalkyl group which may be substituted by substituent(s) selected from Substituent group (b), “C 1 -C 3 alkyl group which is substituted by C 3 -C 6 cycloalkyl group which may be substituted by substituent(s) selected from Substituent group (b), and which may be substituted by a hydroxy group”, an aromatic ring group or heteroaromatic ring group each of which may be substituted by a substituent(s) selected from Substituent group (c) or “C 1 -C 2 alkyl group which is substituted by aromatic ring group or heteroaromatic ring group each of which may be substituted by group(s) selected from Substituent group (c), and which may be substituted by a hydroxy group”, Substituent group (a) represents a halogen atom, hydroxy group, cyano group, carboxy group, C 1 -C 5 alkoxy group, halogeno C 1 -C 4 alkoxy group, C 3 -C 6 cycloalkoxy group, (C 3 -C 6 cycloalkyl)C 1 -C 2 alkoxy group, C 1 -C 4 alkoxycarbonyl group, C 2 -C 4 alkanoyl group, C 2 -C 4 alkanoyloxy group or C 1 -C 4 alkyl-substituted amino group, Substituent group (b) represents a hydroxy group or a halogen atom, Substituent group (c) represents a halogen atom, a hydroxy group, a cyano group, a nitro group, a carboxy group, C 1 -C 5 alkoxy group, C 1 -C 4 alkoxycarbonyl group, C 2 -C 4 alkanoyloxy group, C 1 -C 4 alkyl-substituted amino group or a C 1 -C 4 alkyl group which may be substituted by a substituent(s) selected from the group consisting of (a halogen atom, a hydroxy group and a carboxy group), or a pharmaceutically acceptable salt thereof.

  本发明公开了一种由式（1）表示的吡咯吡啶二酮化合物：其中，R1代表C1-C2烷基或卤代C1-C2烷基，R2代表C3-C5环烷基、（C3-C5环烷基）C1-C2烷基或C1-C3烷基，R3代表氢原子，或与基团-O-R2结合形成取代含氧杂环的亚甲基或顺式乙烯基，R4代表氢原子、卤素原子、C1-C8烷基、C2-C6烯基、C2-C6炔基、羟基C3-C6烯基、羟基C3-C6炔基、由从取代基团（a）中选择的取代基团取代的C1-C6烷基，可由从取代基团（b）中选择的取代基团取代的C3-C6环烷基，可由从取代基团（b）中选择的取代基团取代的C1-C3烷基，且可由羟基取代，芳香环基或杂芳香环基，每个都可由从取代基团（c）中选择的取代基团取代或由取代基团（c）选择的基团取代的C1-C2烷基，且可由羟基取代，取代基团（a）表示卤素原子、羟基、氰基、羧基、C1-C5烷氧基、卤代C1-C4烷氧基、C3-C6环烷氧基、（C3-C6环烷基）C1-C2烷氧基、C1-C4烷氧羰基、C2-C4酰基、C2-C4酰氧基或C1-C4烷基取代的氨基基团，取代基团（b）表示羟基或卤素原子，取代基团（c）表示卤素原子、羟基、氰基、硝基、羧基、C1-C5烷氧基、C1-C4烷氧羰基、C2-C4酰氧基、C1-C4烷基取代的氨基基团或可由从由卤素原子、羟基和羧基组成的基团中选择的取代基团取代的C1-C4烷基，或其药学上可接受的盐。
• Refrigeration Lubricant Composition and Refrigerant Working Fluid Composition
  申请人：Kajiki Takeshi

  公开号：US20080237534A1

  公开（公告）日：2008-10-02

  A refrigeration lubricant composition contains an ester compound obtained from a polyol and a fatty acid, and a five- or six-membered ring cyclic ether compound having a side chain with an ester bonding. The content of the cyclic ether compound is adjusted to 0.01 to 5 parts by mass based on 100 parts by mass of the ester compound.

  一种制冷润滑剂组合物，包含从多元醇和脂肪酸获得的酯化合物，以及具有带有酯键的侧链的五元或六元环脂肪醚化合物。根据酯化合物的100质量部分，环脂肪醚化合物的含量调整为0.01至5质量部分。
• Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes
  申请人：McDaniel C. Steven

  公开号：US20100210745A1

  公开（公告）日：2010-08-19

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peotide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文公开了一些聚合材料，如涂层、塑料、层压板、复合材料、弹性体、粘合剂或密封剂；一种表面处理，如纺织品涂层或蜡；一种填料，用于这样的聚合材料或表面处理，其中包括一种酶，如酯酶（例如，脂肪水解酶，硫酸酯水解酶，有机磷化合物降解酶），降解细胞壁和/或细胞膜成分的酶（例如，溶菌酶，裂解转糖基酶），生物杀菌或生物静态肽，以及/或肽酶。本文还公开了通过将酶纳入可通过脂肪水解酶、水解酶和/或脲酶的活性交联材料中来改变材料性能，如使用寿命、柔韧性或刚度的方法。