(2-乙氧基苯)乙腈 | 74205-51-9

• 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-乙氧基苯)乙腈
• 英文名称: (2-ethoxyphenyl)acetonitrile
• 英文别名: 2-ethoxy benzylcyanide；(2-Aethoxy-phenyl)-acetonitril；2-Aethoxy-benzylcyanid；2-Aethoxy-phenylessigsaeurenitril；2-Ethoxyphenylacetonitrile；2-(2-ethoxyphenyl)acetonitrile
• CAS: 74205-51-9
• 化学式: C₁₀H₁₁NO
• mdl: MFCD00016390
• 分子量: 161.203
• InChiKey: XXLCVIZGVFWXFL-UHFFFAOYSA-N

物化性质

• 熔点：
  32-34°C

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 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：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  (2-乙氧基苯)乙腈 在 sodium azide 、 溶剂黄146 作用下， 以 正丁醇 为溶剂， 以30.7%的产率得到5-[(2-ethoxyphenyl)methyl]-2H-tetrazole
  参考文献：
  名称：

  Synthesis of 5-substituted N(1)-and N(2)-tetrazolylacetic acids and their biological properties

  摘要：

  DOI：

  10.1007/bf00766552
• 作为产物：
  描述：

  2-乙氧基苯甲酸 在 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 以 二甲基亚砜 为溶剂， 生成 (2-乙氧基苯)乙腈
  参考文献：
  名称：

  通过远程氢提取反应在杨光环化反应中的高非对映选择性

  摘要：

  1-苯甲酰基-1-（邻-烷氧基苯基）环丙烷经过杨光环化反应以立体定向方式形成二氢苯并吡喃醇。在羰基的α位上的环丙基不仅会给起始酮的最稳定几何结构带来偏倚，而且还会对双自由基中间体的几何结构产生构象限制。更重要的是，分子内氢键似乎对双自由基反应性的构象控制产生附加作用。

  DOI：

  10.1002/bkcs.10900

文献信息

• SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF
  申请人：Bayer Aktiengesellschaft

  公开号：US20200031775A1

  公开（公告）日：2020-01-30

  The present application relates to novel substituted N-arylethyl-2-arylquinoline-4-carboxamide derivatives, to processes for preparation thereof, to the use thereof alone or in combinations for treatment and/or prevention of diseases, and to the use thereof for production of medicaments for treatment and/or prevention of diseases, especially for treatment and/or prevention of fibrotic and inflammatory disorders.

  本申请涉及新型取代N-芳基乙基-2-芳基喹啉-4-羧酰胺衍生物，其制备方法，其单独或组合用于治疗和/或预防疾病的用途，以及其用于生产治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防纤维化和炎症性疾病。
• Alpha-(2-alkoxyphenyl)-alpha-alkyl-1H-1,2,4-triazole-1-propanenitriles
  申请人：Rohm and Haas Company

  公开号：US04895865A1

  公开（公告）日：1990-01-23

  This invention relates to alpha-(2-alkoxyphenyl)-alpha-alkyl-1H-1,2,4-triazole-1-propanenitriles and derivatives, their enantiomorphs, acid addition salts and metal salt complexes. These compounds, enantiomorphs, salts and complexes are highly active broad-spectrum systemic fungicides effective in controlling phytopathogenic fungi such as barley helminthosporium, cucumber downy mildew, cucumber powdery mildew, grape downy mildew, peanut cercospora, rice blast, wheat powdery mildew and wheat stem rust. The compounds have protective and curative activity against rice blast when they are applied foliarly or systemically and have superior residual activity against rice blast via foliar application.

  这项发明涉及α-(2-烷氧基苯基)-α-烷基-1H-1,2,4-三唑-1-丙腈及其衍生物，它们的对映体，酸盐和金属盐络合物。这些化合物，对映体，盐和络合物是高活性的广谱系统杀菌剂，对控制大麦谷物镰刀菌、黄瓜霜霉病、黄瓜白粉病、葡萄霜霉病、花生锈病、水稻稻瘟病、小麦白粉病和小麦锈病等植物病原真菌有效。这些化合物在叶面或全株施用时对水稻稻瘟病具有保护和治疗活性，并且通过叶面施用具有优越的残留活性对抗水稻稻瘟病。
• Novel phenoxyalkylamine derivatives. IV. Synthesis, Ca2+-antagonistic activity and quantitative structure-activity analysis of .ALPHA.-isopropyl-.ALPHA.-(3-(3-(3-methoxyphenoxy)propylamino)propyl)-.ALPHA.-phenylacetonitrile derivatives.
  作者：KAZUYA MITANI、SHUNICHIRO SAKURAI、TOSHIHIRO SUZUKI、KOJI MORIKAWA、EIICHI KOSHINAKA、HIDEO KATO、YASUO ITO、TOSHIO FUJITA

  DOI：10.1248/cpb.36.4103

  日期：——

  α-Isopropyl-α-[3-[3-(3-methoxyphenoxy) propylamino] propyl] -α-phenylacetonitrile derivatives containing various substituents on the benzene ring (A ring) at the phenylacetonitrile moiety were prepared, and their Ca2+-antagonistic activity was evaluated. Among these compounds, the N-Me derivatives with m-OMe, p-F, p-Cl, 3, 4-(OMe) 2 and 3, 5-(OMe) 2 substituents on the A ring were found to show higher Ca2+-antagonistic activity than verapamil. The effect of substituents on the A ring was examined quantitatively using physicochemical substituent parameters and regression analysis. The analysis showed that substituents with a π value close to zero are favorable to the activity and that optimum steric conditions exist for m-and p-substituents, corresponding to those of m-OMe and p-F or p-Cl. The analysis for the whole series of analogs where substituents on the A ring, the benzene ring (B ring) at the phenoxy moiety and the quaternary carbon atom are simultaneously varied suggested that there is an optimum molecular hydrophobicity, perhaps participating in the transport process to the site of action, besides position-specific steric and hydrophobic effects.

  制备了α-异丙基-α-[3-[3-(3-甲氧基苯氧基)丙氨基]丙基]-α-苯乙腈衍生物，并评估了它们的 Ca2+ 拮抗活性。在这些化合物中，发现在 A 环上具有 m-OMe、p-F、p-Cl、3，4-(OMe) 2 和 3，5-(OMe) 2 取代基的 N-Me 衍生物比维拉帕米具有更高的 Ca2+ 拮抗活性。利用物理化学取代基参数和回归分析对 A 环上取代基的影响进行了定量研究。分析结果表明，π值接近于零的取代基对活性有利，而 m 和 p 取代基存在最佳立体条件，相当于 m-OMe 和 p-F 或 p-Cl。对同时改变 A 环、苯氧基苯环（B 环）和季碳原子上的取代基的全系列类似物进行的分析表明，除了特定位置的立体效应和疏水效应外，还存在最佳的分子疏水性，这可能参与了向作用部位的迁移过程。
• Alpha-aryl-alpha-phenylethyl-1H-1,2,4-triazole-1-propanenitriles
  申请人：Rohm and Haas Company

  公开号：US05087635A1

  公开（公告）日：1992-02-11

  This invention relates to substituted and unsubstituted alpha-aryl-alpha-phenylethyl-1H-1,2,4-triazole-1-propanenitriles, their enantiomorphs, acid addition salts and metal salt complexes. These compounds, enantiomorphs, salts and complexes are highly active broad-spectrum systemic fungicides effective in controlling phytopathogenic fungi such as corn helminthosporium, barley helminthosporium, cucumber downy mildew, cucumber powdery mildew, cucumber anthracnose, botrytis, tomato early blight, tomato late blight, grape downy mildew, bean powdery mildew, peanut cercospora, rice blast, rice sheath blight, wheat leaf rust, wheat septoria nodorum, wheat powdery mildew and wheat stem rust. The invention also concerns a method of preparing alpha-aryl-alpha-triazolylmethylacetonitrile compounds by reacting an aryl-acetonitrile compound with a halomethyltriazole.

  本发明涉及取代和未取代的α-芳基-α-苯基乙基-1H-1,2,4-三唑-1-丙腈，它们的对映异构体，酸加成盐和金属盐络合物。这些化合物、对映异构体、盐和络合物是高效的广谱系统杀菌剂，能有效控制植物病原真菌，如玉米赤霉病菌、大麦赤霉病菌、黄瓜霜霉病、黄瓜白粉病、黄瓜炭疽病、灰霉病、番茄早疫病、番茄晚疫病、葡萄霜霉病、豆粉病、花生青枯病、水稻稻瘟病、水稻纹枯病、小麦叶锈病、小麦节疣病、小麦白粉病和小麦锈病。本发明还涉及通过将芳基-丙腈化合物与卤代甲基三唑反应制备α-芳基-α-三唑基甲基乙腈化合物的方法。
• Process for the preparation of piperidinylidene derivatives
  申请人：Takasago International Corporation

  公开号：EP0949247A1

  公开（公告）日：1999-10-13

  Disclosed is a process for economic, safe and simple production of a 2-phenyl-2-(2'-piperidinylidene)acetate derivative at a reduced number of steps in a high yield, which comprises allowing 2,3,4,5-Tetrahydro-6-methoxypyridine and a benzyl cyanide derivative represented by the following general formula (2): wherein R1 represents a hydrogen atom, a lower alkyl group, a lower alkoxy group, a halogen atom or an amino group, to undergo condensation reaction in the presence of an organic base such as 1,8-diazabicyclo[5.4.0]-7-undecene or a transition metal complex as a catalyst to produce a 2-phenyl-2-(2'-piperidinylidene)acetonitrile derivative represented by the following general formula (4): wherein R1 is as defined above; and the wavy line indicates a geometrical isomer, and then reacting with an alcohol in the presence of hydrogen chloride.

  本发明公开了一种经济、安全和简单的 2-苯基-2-(2'-哌啶亚基)乙酸酯衍生物的生产工艺，该工艺减少了步骤，产率高，包括允许 2,3,4,5-四氢-6-甲氧基吡啶和由下通式(2)代表的苄基氰衍生物： 其中 R1 代表氢原子、低级烷基、低级烷氧基、卤素原子或氨基，在有机碱如 1,8-二氮杂双环[5.4.0]-7-十一烯或过渡金属络合物作为催化剂存在下进行缩合反应，生成下通式 (4) 所代表的 2-苯基-2-(2'-哌啶亚基)乙腈衍生物： 其中 R1 如上定义；波浪线表示几何异构体，然后在氯化氢存在下与醇反应。

表征谱图