α-Brom-propionsaeure-pentylester | 130232-64-3

• 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: α-Brom-propionsaeure-pentylester
• 英文别名: Pentyl 2-bromopropanoate
• CAS: 130232-64-3
• 化学式: C₈H₁₅BrO₂
• 分子量: 223.11
• InChiKey: IJSDPKDUSUXUFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  α-Brom-propionsaeure-pentylester 生成 2-Bromo-2-nitro-propionic acid pentyl ester
  参考文献：
  名称：

  脂肪族硝基化合物的合成及其抗菌活性。

  摘要：

  DOI：

  10.1021/jm00255a014

文献信息

• Effect of Optically Active Ethyl 2-Phthalimidooxypropionate on the Growth of Cress,<i>Lepidium sativum</i>
  作者：Yukinori TAKEKIDA、Momotoshi OKAZAKI、Yoshihiro SHUTO

  DOI：10.1271/bbb.63.1831

  日期：1999.1

  The effects of 2-phthalimidooxyalkanoic acid derivatives on the germination and root-growth of cress were examined. Since 2-phthalimidooxypropionates were most effective, the optically active ethyl esters were prepared. As the result of biological testing, the (S)-(-)-isomer exhibited stronger activity than the (R)-(+)-isomer. This result is contrary to those from commercial herbicides with similar structures, phenoxy- and oxyphenoxy-propionate-type compounds, where the (R)-isomers are generally known to be the active principles.

  研究了2-邻苯二甲酰亚胺氧基烷酸衍生物对水芹萌发和根生长的影响。由于2-邻苯二甲酰亚胺氧基丙酸酯最为有效，因此制备了光学活性的乙酯。生物测试结果显示，(S)-(-)-异构体比(R)-(+)-异构体表现出更强的活性。这一结果与结构类似、属于苯氧基和羟苯氧基丙酸酯类商业除草剂的情况相反，后者通常认为(R)-异构体是活性成分。
• Preparation of 2-(hydroxyphenoxy)-carboxylates
  申请人：BASF Aktiengesellschaft

  公开号：US04489207A1

  公开（公告）日：1984-12-18

  2-(Hydroxyphenoxy)-carboxylates are prepared by a process wherein a dihydroxybenzene (A) is reacted with a 2-halo-fatty acid ester (B) of an alcohol, phenol or oxime of no more than 10 carbon atoms, in a molar ratio of A:B.gtoreq.1.5, in the presence of calcium hydroxide in dimethylsulfoxide, at from 0.degree. to 100.degree. C.

  2-(羟基苯氧基)羧酸酯是通过以下过程制备的：将二羟基苯（A）与十个碳原子以下的醇、苯酚或肟的2-卤代脂肪酸酯（B）以A:B≥1.5的摩尔比在二甲基亚砜中，在0℃至100℃的条件下，在氢氧化钙的存在下反应。
• A method for resolving optical isomers
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0970936A1

  公开（公告）日：2000-01-12

  A method for resolving optical isomers, in which a discriminating liquid consisting of an discriminating agent capable of discriminating optical isomers and a diluent is brought into contact with a mixture containing said optical isomers in counter current, to resolve the optical isomers by adsorption separation, distillation separation, absorption separation or membrane separation, and is recovered at an optical isomer content of 5 wt% or less for recycled use is characterized by satisfying one or more of the following conditions: (a) The dielectric constant of the diluent is 30 or less and the viscosity of the discriminating liquid is 0.2 Pa·s or less at the temperature of the resolving operation. (b) The discriminating agent contained has an effect of splitting the 1H or 13C-NMR spectrum peak of the optical isomers when added and the diluent contained has a dielectric constant equal to or lower than the dielectric constant of the measuring solvent at the time of measuring the 1H or 13C-NMR spectrum. (c) The boiling point of at least one compound of the discriminating agent at the pressure of resolving operation is higher than the boiling point of at least one compound of the diluent at the pressure of resolving operation. (d) The boiling point of at least one compound of the diluent at the pressure of resolving operation is higher than the boiling point of the optical isomers to be resolved, at the pressure of resolving operation by 10°C or more. (e) The concentration of the discriminating agent in the discriminating liquid is 10 wt% or more.

  一种分辨光学异构体的方法，在该方法中，由能够分辨光学异构体的分辨剂和稀释剂组成的分辨液与含有所述光学异构体的混合物逆流接触，通过吸附分离、蒸馏分离、吸收分离或膜分离来分辨光学异构体，并以 5 wt% 或更低的光学异构体含量回收光学异构体以供循环使用，其特征在于满足以下一个或多个条件： (a) 在分辨操作温度下，稀释剂的介电常数为 30 或以下，分辨液的粘度为 0.2 Pa-s 或以下。 (b) 所含鉴别剂在加入时具有分裂光学异构体的 1H 或 13C-NMR 光谱峰的效果，所含稀释剂的介电常数等于或低于测量 1H 或 13C-NMR 光谱时测量溶剂的介电常数。 (c) 至少一种鉴别剂化合物在解析操作压力下的沸点高于至少一种稀释剂化合物在解析操作压力下的沸点。 (d) 至少一种稀释剂化合物在解析操作压力下的沸点比待解析光学异构体在解析操作压力下的沸点高 10°C 或以上。 (e) 鉴别液中鉴别剂的浓度为 10 wt%或以上。
• YPA, YASUITI;SAKATA, GOTSUNEH;MAKINO, KEHNDZI;KAVAMURA, YASUO;KAVAMURA, Y+
  作者：YPA, YASUITI、SAKATA, GOTSUNEH、MAKINO, KEHNDZI、KAVAMURA, YASUO、KAVAMURA, Y+

  DOI：——

  日期：——
• Verfahren zur Herstellung von 2-(Hydroxyphenoxy)-carbonsäureestern
  申请人：BASF Aktiengesellschaft

  公开号：EP0082413B1

  公开（公告）日：1985-07-24

表征谱图