2-nonyl-1,3-propanediol | 110260-74-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-nonyl-1,3-propanediol
• 英文别名: 2-nonylpropane-1,3-diol；2-hydroxymethyl-1-undecanol
• CAS: 110260-74-7
• 化学式: C₁₂H₂₆O₂
• mdl: MFCD00458014
• 分子量: 202.337
• InChiKey: UFCBBNJJKOMVCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  312.3±10.0 °C(Predicted)
• 密度：
  0.911±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-nonyl-1,3-propanediol 在 正丁基锂 、 四丁基氟化铵 、 sodium hydride 、 戴斯-马丁氧化剂 、 对甲苯磺酸 、 溶剂黄146 、 9-bromo-9-borabicyclo[3.3.1]nonane 、 三苯基膦 作用下， 以 苯 为溶剂， 生成 2-(2-Bromododec-1-en-3-yl)-1,3-dioxolane
  参考文献：
  名称：

  对映体合成的（-）-曲奇酸。

  摘要：

  提出了对映体合成（-）-次氯酸（）。这允许将天然（+）-曲霉酸的绝对构型指定为3S，4S，6S。

  DOI：

  10.1039/b504258e
• 作为产物：
  描述：

  1-溴壬烷 在 lithium aluminium tetrahydride 、 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 2-nonyl-1,3-propanediol
  参考文献：
  名称：

  对映体合成的（-）-曲奇酸。

  摘要：

  提出了对映体合成（-）-次氯酸（）。这允许将天然（+）-曲霉酸的绝对构型指定为3S，4S，6S。

  DOI：

  10.1039/b504258e

文献信息

• COMPOSITION, PRODUCTION METHOD FOR COMPOSITION, AND PRODUCTION METHOD FOR UNSATURATED COMPOUND
  申请人：SHOWA DENKO K.K.

  公开号：US20210198184A1

  公开（公告）日：2021-07-01

  The invention relates to a composition excellent in stability during storage and stability during utilization, and relates to a method of producing the composition. The composition includes a compound (A) represented by general formula (1) and a compound (B) represented by general formula (2), and includes 0.00002 to 0.2 parts by mass of the compound (B) with respect to 100 parts by mass of the compound (A), (R 1 —COO) n —R 2 —(NCO) m (1) (R 1 —COO) n —R 2 —(R 3 —R 1 ) m (2) wherein in general formulae (1) and (2), R 1 is an ethylenically unsaturated group having 2 to 7 carbon atoms; R 2 is a (m+n)-valent hydrocarbon group having 1 to 7 carbon atoms and optionally contains an ether group; R 1 and R 2 in the general formula (1) are the same as R 1 and R 2 in the general formula (2); in general formula (2), R 3 is —NHC(═O)—; and n and m each represent an integer of one or two.

  本发明涉及一种在储存期间和使用期间稳定性优异的组成物，以及该组成物的生产方法。所述组成物包括由通用公式（1）表示的化合物（A）和由通用公式（2）表示的化合物（B），并且包括相对于100部分质量的化合物（A）的0.00002至0.2部分质量的化合物（B），(R1—COO)n—R2—(NCO)m(1)(R1—COO)n—R2—(R3—R1)m(2)其中在通用公式（1）和（2）中，R1是具有2至7个碳原子的乙烯基不饱和基团；R2是具有1至7个碳原子的（m+n）价烃基团，并且可选地含有醚基；通用公式（1）中的R1和R2与通用公式（2）中的R1和R2相同；在通用公式（2）中，R3是—NHC(═O)—；n和m各自代表一个或两个整数。
• The synthesis and electro-optic properties of liquid crystalline 2-(2,3-difluorobiphenyl-4′-yl)-1,3-dioxanes
  作者：Chu Chuan Dong、Peter Styring、John W. Goodby、Lawrence K. M. Chan

  DOI：10.1039/a902351h

  日期：——

  Fifty-six novel alkyl and/or alkoxy disubstituted 2-(2,3-difluorobiphenyl-4′-yl)-1,3-dioxanes (DFBPD) were prepared. Smectic C and nematic mesophases were exhibited by most of the alkyl-alkoxy homologues. Conversely, most of the dialkyl compounds exhibited smectic C, smectic A and nematic phases. The birefringence (Δn), dielectric anisotropy (Δε), spontaneous polarisation and response times of two ferroelectric mixtures formulated from the dioxanyl systems were determined. The birefringence results were compared with eight other groups of mixtures where the materials were based on different core systems. The overall electro-optic properties of the DFBPDs were found to be comparable to the best of the eight most commonly used materials in ferroelectric display devices.

  制备了 56 种新型烷基和/或烷氧基二取代的 2-(2,3-二氟联苯-4´-基)-1,3-二氧六环 (DFBPD)。大多数烷基-烷氧基同系物展现出近晶 C 和向列相中間相。相反，多数二烷基化合物展现出近晶 C、近晶 A 和向列相。测定了两个由二氧六环体系构成的铁电混合物的双折射 (Δn)、介电各向异性 (Δε)、自发极化和响应时间。双折射结果与基于不同核心体系的 8 组混合物进行了比较。发现 DFBPD 的整体电光性质与最常用的 8 种铁电显示器材料相当。
• Mesogenic, optical, and dielectric properties of 5-substituted 2-[12-(4-pentyloxyphenyl)-p-carboran-1-yl] [1,3]dioxanes
  作者：Takashi Nagamine、Adam Januszko、Piotr Kaszynski、Kiminori Ohta、Yasuyuki Endo

  DOI：10.1039/b608012j

  日期：——

  Two homologous series of carborane-containing dioxanes 1[n] and 2[n] (n = 1–10) were prepared and their mesogenic properties investigated. All compounds exhibit nematic behavior and three members of series 2[n] show an E phase. Numerical analysis of the clearing temperatures gave a limiting value TNI(∞) of 89 °C for series 2[n] and indicated conformational flexibility of the dioxane ring. Investigations of three-ring derivative 1[4] gave Δn = 0.17, S = 0.53, and Δε = +0.4 ± 0.1 at 85 °C. Extrapolation of dielectric data for dilute solutions of 1[4] in 6-CHBT gave Δε = +0.4 ± 0.25 at 24 °C. Modelling of dielectric results with the Maier–Meier equation demonstrated that conformers with a higher β angle are preferred, which is consistent with conformational selection for the most elongated conformers.

  准备了两个含有碳硼烷的二噁烷同系物系列1[n]和2[n]（n = 1–10），并对它们的介晶性质进行了研究。所有化合物均表现出向列行为，而系列2[n]中的三个成员显示出E相。清晰温度的数值分析给出了系列2[n]的极限值TNI(∞)为89°C，并表明二噁烷环的构象灵活性。对三环衍生物1[4]的研究得到了Δn = 0.17，S = 0.53，以及在85°C时Δε = +0.4 ± 0.1。对1[4]在6-CHBT稀溶液中的介电数据进行外推时，在24°C得到了Δε = +0.4 ± 0.25。利用Maier–Meier方程对介电结果的建模表明，具有更高β角的构象更为偏好，这与对于最细长构象的构象选择一致。
• Enantiospecific synthesis of the heparanase inhibitor (+)-trachyspic acid and stereoisomers from a common precursor
  作者：Steven C. Zammit、Vito Ferro、Edward Hammond、Mark A. Rizzacasa

  DOI：10.1039/b708594j

  日期：——

  The total synthesis of natural (+)-trachyspic acid and its enantiomer is described starting from a common 2-deoxy-d-ribose derivative. The synthesis of the corresponding C3 epimers from the same starting material is also described. Each stereoisomer was assayed for heparanase inhibition.

  从一种常见的2-脱氧-d-核糖衍生物开始，描述了天然（+）-茶树酸及其对映异构体的总合成。还描述了由相同的起始原料合成相应的C3差向异构体。测定每种立体异构体对乙酰肝素酶的抑制作用。
• Liquid crystal material
  申请人：Imperial Chemical Industries, PLC

  公开号：US04906402A1

  公开（公告）日：1990-03-06

  A compound having ferroelectric liquid crystal properties of the formula: ##STR1## wherein A is the residue of a liquid crystal material or a liquid crystal compatible material; X is O or S; n is 0 or 1; Y is any inert group which does not cause the melting point of the compound of Formula I to exceed 200.degree. C.; R.sup.1 is selected from H, C.sub.1-4 -alkyl and halogen; and R.sup.2 is C.sub.1-4 -alkyl or halogen; provided that R.sup.1 and R.sup.2 are different. In a suitable environment the compound is capable of alignment in two metastable states and is therefore suitable for use in multiplex-addressed, liquid crystal devices, such as flat bed large area screens and displays.

  一种具有铁电液晶性质的化合物，其化学式为：##STR1## 其中，A是液晶材料或液晶兼容材料的残基；X为O或S；n为0或1；Y是任何惰性基团，不会使化合物I的熔点超过200摄氏度；R.sup.1从H、C.sub.1-4-烷基和卤素中选择；R.sup.2是C.sub.1-4-烷基或卤素；要求R.sup.1和R.sup.2不同。在适当的环境中，该化合物能够在两种亚稳态下排列，因此适用于多路复用寻址的液晶器件，例如平板大面积屏幕和显示器。