tert-butyl 2-(neopentylamino)acetate | 765957-52-6

• 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: tert-butyl 2-(neopentylamino)acetate
• 英文别名: Tert-butyl 2-[(2,2-dimethylpropyl)amino]acetate；tert-butyl 2-(2,2-dimethylpropylamino)acetate
• CAS: 765957-52-6
• 化学式: C₁₁H₂₃NO₂
• 分子量: 201.309
• InChiKey: AKIXKBYAIPJCBW-UHFFFAOYSA-N

物化性质

• 沸点：
  241.5±23.0 °C(Predicted)
• 密度：
  0.904±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 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：

  tert-butyl 2-(neopentylamino)acetate 、 4,5-二氯邻苯二甲酸酐 在 三乙胺 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 反应 15.0h， 生成
  参考文献：
  名称：

  EP1604983

  摘要：

  公开号：

文献信息

• Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same
  申请人：Kobayashi Nobuo

  公开号：US20090137799A1

  公开（公告）日：2009-05-28

  Cycloalkylcarbonylamino acid ester derivatives, which are raw material intermediates for a novel cycloalkane carboxamide derivative having an action that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkylcarbonylamino acid ester derivative represented by formula (I), or a pharmaceutically acceptable salt thereof: (wherein, R 1 and R 2 represent alkyl groups, alkenyl groups, alkynyl groups, aromatic hydrocarbon groups, heterocyclic groups, etc., R 8 represents an alkyl group having 1 to 6 carbon atoms, and ring A represents a cyclic alkylidene group having 5, 6 or 7 carbon atoms).

  环烷基羰基氨基酸酯衍生物是一种新型环烷烃羧酰胺衍生物的原料中间体，具有选择性抑制卡特普辛K的作用，提供其生产工艺。 表示为式（I）的环烷基羰基氨基酸酯衍生物，或其药学上可接受的盐： （其中，R1和R2代表烷基、烯基、炔基、芳香烃基、杂环基等，R8代表具有1至6个碳原子的烷基，环A代表具有5、6或7个碳原子的环烷基亚基）。
• Receptor antagonist
  申请人：Itoh Fumio

  公开号：US20070117840A1

  公开（公告）日：2007-05-24

  A compound represented by the formula (I): wherein ring A represents an aromatic ring; X represents a bond, oxygen, NR 4 (R 4 represents hydrogen, a hydrocarbon group, or a heterocyclic group), or alkylene; R 1 represents a hydrocarbon group, or a heterocyclic group; R 2 represents —COYR 5 (Y represents a bond, alkylene, oxygen, sulfur, or NR 6 (R 6 represents hydrogen, a hydrocarbon group, or a heterocyclic group), and R 5 represents a hydrocarbon group, or a heterocyclic group), a hydrocarbon group, or a heterocyclic group; and R 3 represents a hydrocarbon group, a heterocyclic group, optionally substituted hydroxy, optionally substituted amino, or —S(O) n R 7 (R 7 represents a hydrocarbon group, or a heterocyclic group, and n is 0 to 2), a salt of the compound, or a prodrug or either is useful as an agent for modulating the function of an RFRP receptor.

  化合物的化学式为(I)，其中环A代表芳香环；X代表键合，氧，NR4（R4代表氢，一个碳氢基团或一个杂环基团）或烷基；R1代表一个碳氢基团或一个杂环基团；R2代表-COYR5（Y代表键合，烷基，氧，硫或NR6（R6代表氢，一个碳氢基团或一个杂环基团），而R5代表一个碳氢基团或一个杂环基团，或者是一个碳氢基团或一个杂环基团；而R3代表一个碳氢基团，一个杂环基团，可选择的取代羟基，可选择的取代氨基或-S(O)nR7（R7代表一个碳氢基团或一个杂环基团，n为0到2），该化合物的盐或前药，或者是调节RFRP受体功能的药剂。
• Cycloalkane Carboxamide Derivatives and Production Process of Same
  申请人：Kobayashi Nobuo

  公开号：US20090156805A1

  公开（公告）日：2009-06-18

  Novel cycloalkane carboxamide derivatives having an action that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkane carboxamide derivative represented by the following general formula (I), or a pharmaceutically acceptable salt thereof: (wherein R 1 and R 2 represent (substituted) alkyl groups, (substituted) alkenyl groups, (substituted) alkynyl groups, (substituted) aromatic hydrocarbon groups or (substituted) heterocyclic groups, ring A represents an alkylidene group having 5 to 7 carbon atoms, and ring B represents a formyl group or a hydroxymethyl group).

  本发明提供了一种具有选择性抑制蛋白酶K的作用的新型环烷基羧酰胺衍生物及其生产工艺。其中，所述环烷基羧酰胺衍生物由下述通式（I）表示，或其药学上可接受的盐所表示（其中，R1和R2代表（取代）烷基、（取代）烯基、（取代）炔基、（取代）芳香族碳氢基或（取代）杂环基，环A表示具有5至7个碳原子的烷基亚基，环B表示甲酰基或羟甲基）。
• RECEPTOR ANTAGONIST
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1604983A1

  公开（公告）日：2005-12-14

  A compound represented by the formula (I): wherein ring A represents an aromatic ring; X represents a bond, oxygen, NR4 (R4 represents hydrogen, a hydrocarbon group, or a heterocyclic group), or alkylene; R1 represents a hydrocarbon group, or a heterocyclic group; R2 represents -COYR5 (Y represents a bond, alkylene, oxygen, sulfur, or NR6 (R6 represents hydrogen, a hydrocarbon group, or a heterocyclic group), and R5 represents a hydrocarbon group, or a heterocyclic group), a hydrocarbon group, or a heterocyclic group; and R3 represents a hydrocarbon group, a heterocyclic group, optionally substituted hydroxy, optionally substituted amino, or -S(O)nR7 (R7 represents a hydrocarbon group, or a heterocyclic group, and n is 0 to 2), a salt of the compound, or a prodrug or either is useful as an agent for modulating the function of an RFRP receptor.

  由式(I)代表的化合物： 其中环 A 代表芳香环；X 代表键、氧、NR4（R4 代表氢、烃基或杂环基）或亚烷基；R1 代表烃基或杂环基；R2 代表-COYR5（Y 代表键、亚烷基、氧、硫或 NR6（R6 代表氢、烃基或杂环基和 R3 代表烃基、杂环基、任选取代的羟基、任选取代的氨基或-S(O)nR7（R7 代表烃基或杂环基，且 n 为 0 至 2），该化合物的盐、原药或二者之一可用作调节 RFRP 受体功能的制剂。
• CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME
  申请人：SEIKAGAKU CORPORATION

  公开号：EP1972615A1

  公开（公告）日：2008-09-24

  Novel cycloalkane carboxamide derivatives having an action that selectively inhibits cathepsin K, and a production process thereof, are provided. A cycloalkane carboxamide derivative represented by the following general formula (I), or a pharmaceutically acceptable salt thereof: (wherein R1 and R2 represent (substituted) alkyl groups, (substituted) alkenyl groups, (substituted) alkynyl groups, (substituted) aromatic hydrocarbon groups or (substituted) heterocyclic groups, ring A represents an alkylidene group having 5 to 7 carbon atoms, and ring B represents a formyl group or a hydroxymethyl group).

  本发明提供了具有选择性抑制 cathepsin K 作用的新型环烷烃羧酰胺衍生物及其生产工艺。 由以下通式(I)代表的环烷烃羧酰胺衍生物或其药学上可接受的盐： (其中R1和R2代表（取代的）烷基、（取代的）烯基、（取代的）炔基、（取代的）芳香烃基团或（取代的）杂环基团，环A代表具有5至7个碳原子的亚烷基，环B代表甲酰基或羟甲基）。