bicyclo[3.3.1]nonan-1-carboxylic acid | 17530-63-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: bicyclo[3.3.1]nonan-1-carboxylic acid
• 英文别名: Bicyclo[3.3.1]nonane-1-carboxylic acid
• CAS: 17530-63-1
• 化学式: C₁₀H₁₆O₂
• 分子量: 168.236
• InChiKey: VGQJCBJXYSHVQD-UHFFFAOYSA-N

物化性质

• 熔点：
  122.6-123.1 °C
• 沸点：
  291.7±8.0 °C(Predicted)
• 密度：
  1.139±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2920909090

反应信息

• 作为反应物：
  描述：

  bicyclo[3.3.1]nonan-1-carboxylic acid 在 水 、 溴 作用下， 反应 46.0h， 以93.1%的产率得到5-bromobicyclo<3.3.1>nonane-1-carboxylic acid
  参考文献：
  名称：

  Baklan, V. F.; Khil'chevskii, A. N.; Sologub, L. S., Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 10, p. 1680 - 1683

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl spiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-1-carboxylate 在 镍 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 bicyclo[3.3.1]nonan-1-carboxylic acid
  参考文献：
  名称：

  Bredt's rule. III. Synthesis and chemistry of bicyclo[3.3.1]non-1-ene

  摘要：

  DOI：

  10.1021/ja00707a035

文献信息

• USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS
  申请人：Bayer CropScience AG

  公开号：US20150322094A1

  公开（公告）日：2015-11-12

  Use of substituted 2,3-dihydro-1-benzofuran-4-carboxylic acids of the general formula (I) or salts thereof where the radicals in the general formula (I) are as defined in the description, for increasing stress tolerance in plants with respect to abiotic stress, for enhancing plant growth and/or for increasing plant yield, and specific processes for preparing the aforementioned compounds.

  使用通式（I）或其盐代替2,3-二氢-1-苯并呋喃-4-羧酸，其中通式（I）中的基团如描述中定义的，用于增加植物对非生物胁迫的耐受性，促进植物生长和/或增加植物产量，并用于制备上述化合物的特定过程。
• Studies on bicyclononanes. Part VII. Reactions of (1-bicyclo[3,3,1]-nonyl)methyl and related ions
  作者：S. H. Graham、D. A. Jonas

  DOI：10.1039/j39690000188

  日期：——

  The solvolyses of esters of 1-hydroxymethylbicyclononane, 5-hydroxymethylmethylenecyclo-octane, and 1-methyl-5-hydroxymethylcyclo-octene are described, together with the deaminations of the corresponding amines. The occurrence of 1,3-hydride shifts is reported, and the implications of the results, as regards the π-route to bicyclic molecules, are discussed.

  描述了1-羟甲基双环壬烷，5-羟甲基亚甲基环辛烷和1-甲基-5-羟甲基环辛烯的酯的溶剂化，以及相应的胺的脱氨基。报告了1，3-氢化物移位的发生，并且讨论了关于到双环分子的π-途径的结果的含义。
• Syntheses of bicyclic 1,2-diols via the ring-expansion of bridgehead aldehydes of bicyclo[3.2.1]octane and bicyclononanes with benzoyl triflate
  作者：Ken'ichi Takeuchi、Keizo Ikai、Masayasu Yoshida、Akio Tsugeno

  DOI：10.1016/s0040-4020(01)81430-7

  日期：——

  chromatography, have been converted to the corresponding diols, and their structures determined. For synthetic purposes, 11a gives bicyclo[3.3.1]nonane-1,endo-2-diol (27), and 12a the endo and exo isomers of bicyclo[4.3.1]decane-1,2-diol (33 and 35, respectively). From 13a is furnished bicyclo[4.2.2]decane-1,2-diol (42). Diols 27, 33. and 42 are conveniently oxidized to the corresponding ketols by using silver

  双环[3.2。]辛烷（11a），双环[3.3.1]壬烷（12a）和双环[3.2.2]壬烷（13a）的桥头醛已通过使用苯甲酰基三氟甲磺酸酯（三氟甲磺酸-最后）得到两种或三种在桥头碳上含有羟基的双环1，2-二醇单苯甲酸酯的混合物。对照实验表明，该反应是动力学控制的。通过比较由对应于所产生的二醇单苯甲酸酯的母体烃的分子力学计算出的应变能，发现环的扩展方向是可预测的。通过结晶或柱色谱法易于以实际收率分离出的主要单苯甲酸酯已转化为相应的二醇，并确定了它们的结构。出于合成目的，11a给出双环[3.3。1] nonane-1，endo-2-diol（27）和12a是双环[4.3.1]癸烷-1,2-二醇的内和外异构体（分别为33和35）。从13a中提供双环[4.2.2]癸烷-1，2-二醇（42）。使用碳酸银可以50-80％的收率方便地将二元醇​​27、33和42氧化为相应的酮醇。在相似的条件下，二醇35氧化为1-羟基双环[4
• POLYAMIDE ACID AND RESIN COMPOSITION CONTAINING SAME
  申请人：Toray Industries, Inc.

  公开号：EP2832769A1

  公开（公告）日：2015-02-04

  The invention aims to provide polyamic acid that can form a varnish with a low viscosity and serves to produce, through curing, coat film with good mechanical characteristics and further aims to produce cured coat film with good mechanical characteristics regardless of whether the molar concentration of the acid anhydride group in the acid dianhydride monomer and that of the amino group in the multivalent amine compound or diamine compound are identical to or different from each other. This objective is met by polyamic acid including a structure as represented by chemical formula (1) given below: (In chemical formula (1), δ represents an oxygen or sulfur atom and W represents an electron-withdrawing group, and R11 and R12 represent independently a hydrogen atom or a hydrocarbon group having 1 to 10 carbon atoms.

  本发明旨在提供可形成低粘度清漆的聚酰胺酸，通过固化可生产出具有良好机械特性的 涂膜，并进一步旨在生产出具有良好机械特性的固化涂膜，无论酸酐单体中酸酐基团的摩尔 浓度与多价胺化合物或二胺化合物中氨基的摩尔浓度是相同还是不同。包括如下化学式（1）所示结构的聚酰胺可以达到这一目的：(在化学式（1）中，δ 代表氧原子或硫原子，W 代表抽电子基团，R11 和 R12 分别独立地代表氢原子或具有 1 至 10 个碳原子的烃基。
• POLYAMIDE ACID RESIN COMPOSITION, POLYIMIDE FILM USING SAME, AND METHOD FOR PRODUCING SAID POLYIMIDE FILM
  申请人：Toray Industries, Inc.

  公开号：EP2881417A1

  公开（公告）日：2015-06-10

  An object is to provide a polyamic acid resin composition that can form a varnish with a low viscosity and serves to produce, through curing, coat film with good mechanical characteristics. Another object is to provide a polyamic acid resin composition in which the acid anhydride terminal group is low in reactivity with diamine and which can give a varnish that does not suffer significant precipitation of diamine. These objects can be met by a polyamic acid resin composition that contains: (a) polyamic acid and (b) a compound as represented by chemical formula (1). (In Chemical formula (1), Z is a di- or higher-valent organic group containing 2 or more carbon atoms, V is a structure as represented by chemical formula (2), and k is an integer of 2 or more.) (In In Chemical formula (2), δ represents oxygen or sulfur atom and W represents an electron-withdrawing group, and R11 and R12 represent independently a hydrogen atom or a hydrocarbon group containing 1 to 10 carbon atoms.

  一个目的是提供一种聚酰胺酸树脂组合物，它能形成一种低粘度清漆，并能通过 固化产生具有良好机械特性的涂膜。另一个目的是提供一种聚氨基甲酸酯树脂组合物，其中的酸酐端基与二胺的反应活性较低，并能产生一种二胺不会明显析出的清漆。含有以下成分的聚酰胺树脂组合物可以达到上述目的：(a) 聚酰胺和 (b) 化学式（1）所表示的化合物。(在化学式（1）中，Z 是含有 2 个或 2 个以上碳原子的二价或高价有机基团，V 是化学式（2）所代表的结构，k 是 2 个或 2 个以上的整数）。(在化学式（2）中，δ代表氧原子或硫原子，W代表抽电子基团，R11 和 R12 独立地代表氢原子或含有 1 至 10 个碳原子的烃基。

表征谱图