ethyl 2-methylbenzimidate | 41075-43-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-methylbenzimidate
• 英文别名: 2-methyl-benzimidic acid ethyl ester；2-Methyl-benzimidsaeure-aethylester；o-Toliminoaethylaether；o-Tolenyliminoaethylaether；Benzenecarboximidic acid, 2-methyl-, ethyl ester；ethyl 2-methylbenzenecarboximidate
• CAS: 41075-43-8
• 化学式: C₁₀H₁₃NO
• 分子量: 163.219
• InChiKey: FBVQYWXABNMMBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 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：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-甲苯甲酰肼 、 ethyl 2-methylbenzimidate 生成
  参考文献：
  名称：

  A new class of nonhormonal pregnancy-terminating agents. Synthesis and contragestational activity of 3,5-diaryl-s-triazoles

  摘要：

  A series of 3,5-diaryl-s-triazoles were synthesized and evaluated as postimplantation contragestational agents. The introduction of various substituents (e.g., an o-alkyl chain on one phenyl and a m-alkoxy group on the other) was found to increase the potency. Several compounds with very high pregnancy-terminating activity in both hamsters and rats were obtained. One of these, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-s-triazole, DL 111 (36), was selected for detailed evaluation in various animal species. A synthetic scheme for the preparation of these compounds and preliminary structure-activity relationships are presented.

  DOI：

  10.1021/jm00362a018
• 作为产物：
  描述：

  乙醇 、 邻甲基苯腈 在 乙酰氯 作用下， 反应 6.0h， 生成 ethyl 2-methylbenzimidate
  参考文献：
  名称：

  苯并亚胺类化合物作为宝石-二酰胺化和氨基吲哚化级联合成子与水合 NiII 催化剂。

  摘要：

  我们通过对水分不敏感的 NiII/NiII-FeIII 组合催化为同时形成 2-3 键的偕二酰胺化和酰氨基吲哚化级联反应构建了对称和不对称的偕-(芳基亚甲基)酰胺和吲哚(芳基亚甲基)，贡献了一种新的苯亚胺酸盐化学。酰胺，使用新兴的苯并亚胺合成子。该策略的操作简单、性质温和、通用性和稳健性通过在相同反应条件下以高产率合成各种新分子、不稳定的糖基手性化合物和药物得到验证。

  DOI：

  10.1021/acs.orglett.0c00928

文献信息

• Cis-imidazolines
  申请人：——

  公开号：US20040259884A1

  公开（公告）日：2004-12-23

  The present invention provides compounds according to formula I 1 having the designations provided herein, and pharmaceutically acceptable salts and esters thereof. These compounds inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity.

  本发明提供了根据式I的化合物，具有此处提供的命名，以及其药学上可接受的盐和酯。这些化合物抑制MDM2蛋白与类p53肽的相互作用，并具有抗增殖活性。
• Synthesis of rhodium(<scp>iii</scp>)-catalyzed isoquinoline derivatives from allyl carbonates and benzimidates with hydrogen evolution
  作者：Chao Li、Hui-Bei Xu、Jing Zhang、Man Liu、Lin Dong

  DOI：10.1039/c9ob02553g

  日期：——

  A novel Rh(iii)-catalyzed cascade C-H activation/cyclization approach to access isoquinoline derivatives from benzimidates and available allyl carbonates with the liberation of H2 has been realized. Allyl carbonates were first used as a versatile and universal C2 synthon to synthesize this biological activity skeleton via an efficient and practical process just within 1 h.

  已经实现了一种新颖的Rh（iii）催化的级联CH活化/环化方法，可从苯甲二酸盐和可用的碳酸烯丙酯中释放异氰酸，并释放H2。碳酸烯丙酯首先被用作通用且通用的C2合成子，以在1小时内通过有效而实用的方法合成该生物活性骨架。
• Process for preparing substituted 1,2,4-triazole derivatives
  申请人：Gruppo Lepetit

  公开号：US04151169A1

  公开（公告）日：1979-04-24

  New 1-alkyl-3,5-disubstituted-1,2,4-triazole derivatives of following formula I ##STR1## wherein R may represent phenyl; phenyl substituted by a radical selected from (C.sub.1-4)alkyl, e.g. methyl, ethyl, propyl, isopropyl, butyl, sec.-butyl, isobutyl or tert.-butyl, (C.sub.1-4)alkoxy, e.g. methoxy, ethoxy, propoxy, butoxy, isobutyloxy or tert.-butoxy, fluoro, chloro, bromo, nitro, amino, cyano, carbamoyl, carboxy, hydroxymethyl, methylenedioxy and trifluoromethyl; dichlorophenyl; dimethoxyphenyl; 3,4,5-trimethoxyphenyl; R.sub.1 may represent phenyl, phenyl substituted by a radical selected from (C.sub.1-4)alkyl as above defined, (C.sub.1-4)alkoxy as above defined, fluoro, chloro, bromo, hydroxymethyl, (C.sub.2-4)aliphatic acyloxymethyl, e.g. acetoxymethyl, propionyloxymethyl or butyryloxymethyl, carbamoyloxymethyl, bromomethyl and dimethylaminomethyl; dimethylphenyl; dimethoxyphenyl; phenyl contemporaneously substituted by o-hydroxymethyl and chloro; R.sub.2 represents a (C.sub.1-4)alkyl group as above defined; with the proviso that R and R.sub.1 cannot simultaneously represent phenyl; With the further proviso that, when R is phenyl, R.sub.1 cannot be p-chlorophenyl; and processes for their preparation. The compound of the invention have CNS depressant utility. They are especially useful as sedatives and hypnotics. Some of the compounds of the invention are also useful as anxiety relieving means.

  新的1-烷基-3,5-二取代-1,2,4-三唑衍生物具有以下公式I：##STR1## 其中R可以表示苯基；苯基被从（C.sub.1-4）烷基，例如甲基，乙基，丙基，异丙基，丁基，仲丁基，异丁基或叔丁基中选择的基团取代，（C.sub.1-4）烷氧基，例如甲氧基，乙氧基，丙氧基，丁氧基，异丁氧基或叔丁氧基，氟，氯，溴，硝基，氨基，氰基，氨基甲酰，羧基，羟甲基，亚甲二氧基和三氟甲基；二氯苯基；二甲氧基苯基；3,4,5-三甲氧基苯基；R.sub.1可以表示苯基，苯基被从上述定义的（C.sub.1-4）烷基，（C.sub.1-4）烷氧基，氟，氯，溴，羟甲基，（C.sub.2-4）脂肪酰氧甲基，例如乙酰氧甲基，丙酰氧甲基或丁酰氧甲基，氨基甲酰氧甲基，溴甲基和二甲胺基甲基中选择的基团取代；二甲基苯基；二甲氧基苯基；同时被o-羟甲基和氯取代的苯基；R.sub.2代表上述定义的（C.sub.1-4）烷基。前提是R和R.sub.1不能同时表示苯基；并且当R为苯基时，R.sub.1不能是对氯苯基。其制备方法也在文中描述。该发明的化合物具有中枢神经系统抑制剂的用途。它们特别适用于镇静和催眠药。该发明的一些化合物也可用作缓解焦虑的手段。
• Substituted 1,2,4-triazole derivatives
  申请人：Gruppo Lepetit S.p.A.

  公开号：US04119635A1

  公开（公告）日：1978-10-10

  New 1-alkyl-3,5-disubstituted-1,2,4-triazole derivatives of following formula I ##STR1## wherein R may represent phenyl; phenyl substituted by a radical selected from (C.sub.1-4)alkyl, e.g. methyl, ethyl, propyl, isopropyl, butyl, sec.-butyl, isobutyl or tert.-butyl, (C.sub.1-4)alkoxy, e.g. methoxy, ethoxy, propoxy, butoxy, isobutyloxy or tert.-butoxy, fluoro, chloro, bromo, nitro, amino, cyano, carbamoyl, carboxy, hydroxymethyl, methylenedioxy and trifluoromethyl; dichlorophenyl; dimethoxyphenyl; 3,4,5-trimethoxyphenyl; R.sub.1 may represent phenyl, phenyl substituted by a radical selected from (C.sub.1-4)alkyl as above defined, (C.sub.1-4)alkoxy as above defined; fluoro, chloro, bromo, hydroxymethyl, (C.sub.2-4)aliphatic acyloxymethyl, e.g. acetoxymethyl, propionyloxymethyl or butyryloxymethyl, carbamoyloxymethyl, bromomethyl and dimethylaminomethyl; dimethylphenyl; dimethoxyphenyl; phenyl contemporaneously substituted by o-hydroxymethyl and chloro; R.sub.2 represents a (C.sub.1-4)alkyl group as above defined; With the proviso that R and R.sub.1 cannot simultaneously represent phenyl; With the further proviso that, when R is phenyl, R.sub.1 cannot be p-chlorophenyl; And processes for their preparation. The compounds of the invention have CNS depressant utility. They are especially useful as sedatives and hypnotics. Some of the compounds of the invention are also useful as anxiety relieving means.

  以下是公式I的新型1-烷基-3,5-二取代-1,2,4-三唑衍生物：##STR1## 其中，R可以代表苯基；苯基被选自(C.sub.1-4)烷基，例如甲基、乙基、丙基、异丙基、丁基、叔丁基、异丁基或叔-丁基，(C.sub.1-4)烷氧基，例如甲氧基、乙氧基、丙氧基、丁氧基、异丁氧基或叔-丁氧基，氟、氯、溴、硝基、氨基、氰基、氨甲酰基、羧基、羟甲基、亚甲二氧基和三氟甲基的基团取代；二氯苯基；二甲氧基苯基；3,4,5-三甲氧基苯基；R.sub.1可以代表苯基，苯基被选自上述定义的(C.sub.1-4)烷基，(C.sub.1-4)烷氧基，如上所述；氟、氯、溴、羟甲基、(C.sub.2-4)脂肪酰氧甲基，例如乙酰氧甲基、丙酰氧甲基或丁酰氧甲基，氨甲酰氧甲基，溴甲基和二甲氨基甲基的基团取代；二甲基苯基；二甲氧基苯基；同时被o-羟甲基和氯取代的苯基；R.sub.2代表上述定义的(C.sub.1-4)烷基；前提是R和R.sub.1不能同时代表苯基；进一步前提是，当R为苯基时，R.sub.1不能为对-氯苯基；以及它们的制备方法。本发明的化合物具有中枢神经系统抑制剂的用途。它们特别适用于镇静剂和催眠剂。本发明的一些化合物也可用作缓解焦虑的手段。
• Heterocycles useful as modulators of ion channels
  申请人：Wilson Dean

  公开号：US20080255147A1

  公开（公告）日：2008-10-16

  The present invention relates to compounds useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及一种作为离子通道抑制剂有用的化合物。本发明还提供了包括本发明化合物的药学上可接受的组合物以及使用这些组合物治疗各种疾病的方法。