ethyl 3-(benzylamino)-2-methylbut-2-enoate | 51671-51-3

• 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 3-(benzylamino)-2-methylbut-2-enoate
• 英文别名: 3-benzylamino-2-methyl-but-2-enoic acid ethyl ester
• CAS: 51671-51-3
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: WFKPYNIBDUUIRK-UHFFFAOYSA-N

物化性质

• 沸点：
  361.5±35.0 °C(Predicted)
• 密度：
  1.028±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 3-(benzylamino)-2-methylbut-2-enoate 在 盐酸 、 (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate 、 水 、 奎宁 作用下， 以 四氢呋喃 为溶剂， 反应 36.0h， 生成 C₁₁H₁₈O₅
  参考文献：
  名称：

  可见光通过β-烯丙基自由基中间体促进β-酮羰基的β-C-H烷基化

  摘要：

  在仲烯胺的光诱导单电子转移（SET）氧化的基础上报道了5πe羰基活化模式。生成的β-烯丙基自由基中间体被多种Michael受体捕获，从而以高效方式生成β-酮羰基的β-烷基化产物。

  DOI：

  10.1002/cjoc.201700785
• 作为产物：
  描述：

  2-甲基乙酰乙酸乙酯 、 苄胺 在 iron(III) trifluoromethanesulfonate 作用下， 反应 24.0h， 以60%的产率得到ethyl 3-(benzylamino)-2-methylbut-2-enoate
  参考文献：
  名称：

  可见光通过β-烯丙基自由基中间体促进β-酮羰基的β-C-H烷基化

  摘要：

  在仲烯胺的光诱导单电子转移（SET）氧化的基础上报道了5πe羰基活化模式。生成的β-烯丙基自由基中间体被多种Michael受体捕获，从而以高效方式生成β-酮羰基的β-烷基化产物。

  DOI：

  10.1002/cjoc.201700785

文献信息

• Antipruritics
  申请人：Yasui Kiyoshi

  公开号：US20050101590A1

  公开（公告）日：2005-05-12

  It is intended to provide antipruritics (drugs to control itching, antiitch agents and drugs to stop itching). It is found out that a compound having an agonistic activity to the cannabinoid receptor shows an antipruritics effect.

  这意味着它旨在提供止痒药（用于控制瘙痒的药物，抗瘙痒剂和止痒药）。研究发现，具有激动性作用的大麻素受体的化合物具有止痒效果。
• Pyridone derivatives having affinity for cannabinoid 2-type receptor
  申请人：——

  公开号：US20040082619A1

  公开（公告）日：2004-04-29

  It was found that the compound having a binding activity to the cannabinoid type 2 receptor represented by the formula (I): 1 wherein R 1 is a group represented by the formula: —Y 1 —Y 2 —Y 3 —R a wherein Y 1 is single bond or the like; Y 2 is —C(═O)—NH— or the like; Y 3 is optionally substituted aryl or the like; R 2 is hydrogen or the like; R 3 is alkyl or the like; R 4 is alkyl or the like; R 5 is optionally substituted alkyl or the like; or R 3 and R 4 taken together with the adjacent atom form cyclic group or the like.

  发现具有与cannabinoid 2型受体结合活性的化合物，其代表式为（I）：1其中R1是由式表示的基团：—Y1—Y2—Y3—Ra其中Y1是单键或类似物；Y2是—C(═O)—NH—或类似物；Y3是可选取代芳基或类似物；R2是氢或类似物；R3是烷基或类似物；R4是烷基或类似物；R5是可选取代烷基或类似物；或R3和R4与相邻原子结合形成环状基团或类似物。
• Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor
  申请人：Tada Yukio

  公开号：US20060052411A1

  公开（公告）日：2006-03-09

  It was found that the compound having a binding activity to the cannabinoid type 2 receptor represented by the formula (I): wherein R 1 is a group represented by the formula: —Y 1 —Y 2 —Y 3 —R a wherein Y 1 is single bond or the like; Y 2 is —C(═O)—NH— or the like; Y 3 is optionally substituted aryl or the like; R 2 is hydrogen or the like; R 3 is alkyl or the like; R 4 is alkyl or the like; R 5 is optionally substituted alkyl or the like; or R 3 and R 4 taken together with the adjacent atom form cyclic group or the like.

  被发现的化合物具有与cannabinoid type 2 受体结合活性，其化学式为(I)，其中R1是由公式表示的基团：—Y1—Y2—Y3—Ra，其中Y1是单键或类似物；Y2是—C(═O)—NH—或类似物；Y3是可选择取代的芳基或类似物；R2是氢或类似物；R3是烷基或类似物；R4是烷基或类似物；R5是可选择取代的烷基或类似物；或R3和R4与相邻原子一起形成环状基团或类似物。
• Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter
  申请人：TADA Yukio

  公开号：US20100081686A1

  公开（公告）日：2010-04-01

  It was found that the compound having a binding activity to the cannabinoid type 2 receptor represented by the formula (I): wherein R 1 is a group represented by the formula: —Y 1 —Y 2 —Y 3 —R a wherein Y 1 is single bond or the like; Y 2 is —C(═O)—NH— or the like; Y 3 is optionally substituted aryl or the like; R 2 is hydrogen or the like; R 3 is alkyl or the like; R 4 is alkyl or the like; R 5 is optionally substituted alkyl or the like; or R 3 and R 4 taken together with the adjacent atom form cyclic group or the like.

  发现化合物具有与cannabinoid type 2受体结合活性，该化合物的公式为（I）：其中R1是由公式表示的基团：—Y1—Y2—Y3—Ra，其中Y1是单键或类似物；Y2是—C（═O）—NH—或类似物；Y3是可选择的取代芳基或类似物；R2是氢或类似物；R3是烷基或类似物；R4是烷基或类似物；R5是可选择的取代烷基或类似物；或R3和R4与相邻原子结合形成环状基团或类似物。
• PYRIDONE DERIVATIVE HAVING AFFINITY FOR CANNABINOID 2-TYPE RECEPTOR
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1357111A1

  公开（公告）日：2003-10-29

  It was found that the compound having a binding activity to the cannabinoid type 2 receptor represented by the formula (I): wherein R' is a group represented by the formula: -Y1-Y2-Y3Ra wherein Y1 is single bond or the like; Y2 is -C(=O)-NH- or the like; Y3 is optionally substituted aryl or the like; R2 is hydrogen or the like; R3 is alkyl or the like; R4 is alkyl or the like; R5 is optionally substituted alkyl or the like; or R3 and R4 taken together with the adjacent atom form cyclic group or the like.

  研究发现，对大麻素 2 型受体具有结合活性的化合物由式(I)表示： 其中 R' 是由式表示的基团：-其中 Y1 是单键或类似物；Y2 是-C(=O)-NH- 或类似物；Y3 是任选取代的芳基或类似物；R2 是氢或类似物；R3 是烷基或类似物；R4 是烷基或类似物；R5 是任选取代的烷基或类似物；或 R3 和 R4 与相邻原子一起形成环状基团或类似物。