2-(2,3-二甲氧基苯基)-2-羟基乙腈 | 99060-42-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2,3-二甲氧基苯基)-2-羟基乙腈
• 英文名称: 2-(2,3-dimethoxyphenyl)-2-hydroxyacetonitrile
• 英文别名: 2,3-dimethoxy-mandelonitrile；2.3-Dimethoxy-DL-mandelsaeure-nitril；2,3-Dimethoxy-mandelonitril；α-Oxy-2.3-dimethoxy-phenylessigsaeurenitril
• CAS: 99060-42-1
• 化学式: C₁₀H₁₁NO₃
• 分子量: 193.202
• InChiKey: QOHKJNJHEASMPC-UHFFFAOYSA-N

物化性质

• 熔点：
  76 °C
• 沸点：
  361.1±42.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  62.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2,3-二甲氧基苯基)-2-羟基乙腈 在 盐酸 作用下， 生成 2,3-dimethoxy-mandelic acid
  参考文献：
  名称：

  Dexamethasone prophylaxis of nausea and vomiting after epidural morphine for post-Cesarean analgesia

  摘要：

  Purpose: To determine the minimum effective dose of dexamethasone in preventing nausea and vomiting associated with epidural morphine for post-Cesarean analgesia.Method: One hundred and eighty parturients (n=45 in each of four groups) requiring epidural morphine for post Cesarean analgesia were enrolled in this randomized, double blinded, placebo-controlled study. At the end of surgery, parturients received either dexamethasone, at doses of 10 mg, 5 mg, 2.5 mg, or saline iv. Three milligrams epidural morphine were given to all parturients for postoperative analgesia, The incidence of PONV and side effects were estimated for 24 hr after delivery by blinded, trained nurse anesthetists.Results: Parturients who received dexamethasone, either 10 mg or 5 mg were different from those who received saline alone in the following parameters: the total incidence of nausea and vomiting, incidence of > 4 vomiting episodes, number the of parturients requiring rescue antiemetics, and the total number of parturients with no vomiting and/or no antiemetic medication (P < 0.05 to P < 0.01 ), The differences between dexamethasone 10 mg and 5 mg were not significant. Dexamethasone 2.5 mg was partially effective.Conclusion: Dexamethasone, 5 mg iv, is suggested as the minimum effective dose in preventing nausea and vomiting associated with epidural morphine for post-Cesarean analgesia.

  DOI：

  10.1007/bf03019733
• 作为产物：
  描述：

  2-(2,3-Dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 2-(2,3-二甲氧基苯基)-2-羟基乙腈
  参考文献：
  名称：

  酶法制备旋光氰醇乙酸酯

  摘要：

  通过在酯存在下进行酶促外消旋乙酸酯的酶水解，可以制备出具有良好化学性质且通常具有高光学收率的一系列结构广泛变化的氰氨醇乙酸酯（1）–（47），可用于许多合成应用假单胞菌（Pseudomonas sp）的水解酶。

  DOI：

  10.1039/c39890001391

文献信息

• A new (R)-hydroxynitrile lyase from Prunus mume: asymmetric synthesis of cyanohydrins
  作者：Samik Nanda、Yasuo Kato、Yasuhisa Asano

  DOI：10.1016/j.tet.2005.08.105

  日期：2005.11

  A new hydroxynitrile lyase (HNL) was isolated from the seed of Japanese apricot (Prunus mume). The enzyme has similar properties with HNL isolated from other Prunus species and is FAD containing enzyme. It accepts a large number of unnatural substrates (benzaldehyde and its variant) for the addition of HCN to produce the corresponding cyanohydrins in excellent optical and chemical yields. A new HPLC

  从日本杏（Prunus mume）的种子中分离出一种新的羟腈裂解酶（HNL ）。该酶与从其他李属物种中分离的HNL具有相似的特性，并且是含FAD的酶。它接受大量非天然底物（苯甲醛及其变体）以添加HCN，从而以优异的光学和化学收率生产相应的氰醇。针对该酶开发了一种新的基于HPLC的对映选择性测定技术，该技术可促进在缓冲溶液（pH = 4.5）中将KCN添加到苯甲醛中。
• Mosimann; Tambor, Chemische Berichte, 1916, vol. 49, p. 1265
  作者：Mosimann、Tambor

  DOI：——

  日期：——
• Catalytic Reduction of Mandelonitriles
  作者：Johannes S. Buck

  DOI：10.1021/ja01333a060

  日期：1933.6
• Enzymatic preparation of optically active cyanohydrin acetates
  作者：Andreas van Almsick、Joachim Buddrus、Petra Hönicke-Schmidt、Kurt Laumen、Manfred P. Schneider

  DOI：10.1039/c39890001391

  日期：——

  A series of cyanohydrin acetates (1)–(47) of widely varying structures, potential chiral building blocks for numerous synthetic applications, has been prepared in good chemical and often high optical yields by enzymatic hydrolysis of their racemic acetates in the presence of an ester hydrolase from Pseudomonas sp.

  通过在酯存在下进行酶促外消旋乙酸酯的酶水解，可以制备出具有良好化学性质且通常具有高光学收率的一系列结构广泛变化的氰氨醇乙酸酯（1）–（47），可用于许多合成应用假单胞菌（Pseudomonas sp）的水解酶。
• Dexamethasone prophylaxis of nausea and vomiting after epidural morphine for post-Cesarean analgesia
  作者：Jhi-Joung Wang、Shung-Tai Ho、Chih-Shung Wong、Jann-Inn Tzeng、Hang-Seng Liu、Luo-Ping Ger

  DOI：10.1007/bf03019733

  日期：2001.2

  Purpose: To determine the minimum effective dose of dexamethasone in preventing nausea and vomiting associated with epidural morphine for post-Cesarean analgesia.Method: One hundred and eighty parturients (n=45 in each of four groups) requiring epidural morphine for post Cesarean analgesia were enrolled in this randomized, double blinded, placebo-controlled study. At the end of surgery, parturients received either dexamethasone, at doses of 10 mg, 5 mg, 2.5 mg, or saline iv. Three milligrams epidural morphine were given to all parturients for postoperative analgesia, The incidence of PONV and side effects were estimated for 24 hr after delivery by blinded, trained nurse anesthetists.Results: Parturients who received dexamethasone, either 10 mg or 5 mg were different from those who received saline alone in the following parameters: the total incidence of nausea and vomiting, incidence of > 4 vomiting episodes, number the of parturients requiring rescue antiemetics, and the total number of parturients with no vomiting and/or no antiemetic medication (P < 0.05 to P < 0.01 ), The differences between dexamethasone 10 mg and 5 mg were not significant. Dexamethasone 2.5 mg was partially effective.Conclusion: Dexamethasone, 5 mg iv, is suggested as the minimum effective dose in preventing nausea and vomiting associated with epidural morphine for post-Cesarean analgesia.