methyl (S)-3-(tert-butoxycarbonylamino)-2-methylpropanoate | 168828-18-0

• 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: methyl (S)-3-(tert-butoxycarbonylamino)-2-methylpropanoate
• 英文别名: (S)-3-t-butoxycarbonylamino-2-methyl-propionic acid methyl ester；methyl (2S)-3-[(t-butoxycarbonyl)amino]-2-methylpropanoate；(S)-Methyl 3-((tert-butoxycarbonyl)amino)-2-methylpropanoate；methyl (2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS: 168828-18-0
• 化学式: C₁₀H₁₉NO₄
• 分子量: 217.265
• InChiKey: JZHNQALXNGWKCG-ZETCQYMHSA-N

物化性质

• 沸点：
  302.8±25.0 °C(Predicted)
• 密度：
  1.035±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl (S)-3-(tert-butoxycarbonylamino)-2-methylpropanoate 在 lithium aluminium tetrahydride 、 sodium azide 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 生成 Carbamic acid, (3-azido-2-methylpropyl)-, 1,1-dimethylethyl ester, (S)-
  参考文献：
  名称：

  WO2006/116764

  摘要：

  公开号：
• 作为产物：
  描述：

  2-(溴甲基)丙烯酸甲酯 在 [Rh((2R,2'R,5R,5'R)-1,1'-(perfluoro-cyclobut-1-ene-1,2-diyl)bis(2,5-dimethylphospholane))(COD)]BF₄ 、 氢气 、 scandium tris(trifluoromethanesulfonate) 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 20.0~25.0 ℃ 、8.0 MPa 条件下， 反应 23.0h， 生成 methyl (S)-3-(tert-butoxycarbonylamino)-2-methylpropanoate
  参考文献：
  名称：

  Synthesis of enantiopure β2-homoalanine derivatives via rhodium catalyzed asymmetric hydrogenation

  摘要：

  The stereoselective synthesis of chiral beta(2)-homoalanine derivatives with 99% ee by the Rh-catalyzed enantioselective hydrogenation of prochiral 2-aminomethyl acrylates is described. The subsequent transformation to chiral 3-amino-2-methylpropanols is also demonstrated. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2013.02.011

文献信息

• MODULATORS OF CELLULAR ADHESION
  申请人：SARcode Bioscience Inc.

  公开号：US20140051675A1

  公开（公告）日：2014-02-20

  The present invention provides compounds having formula (I): and pharmaceutically acceptable derivatives thereof, wherein R 1 -R 4 , n, p, A, B, D, E, L and AR 1 are as described generally and in classes and subclasses herein, and additionally provides pharmaceutical compositions thereof, and methods for the use thereof for the treatment of disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1).

  本发明提供具有式(I)的化合物及其药学上可接受的衍生物，其中R1-R4、n、p、A、B、D、E、L和AR1的描述如本文中一般和各类和子类中所述，并且还提供了其药物组成物以及使用它们治疗由CD11/CD18细胞黏附分子（例如LFA-1）介导的疾病的方法。
• Dipeptidyl Peptidase-IV Inhibiting Compounds, Method Of Preparing The Same, And Pharmaceutical Compositions Containing The Same As An Active Agent
  申请人：Lee Chang-Seok

  公开号：US20080188471A1

  公开（公告）日：2008-08-07

  The present invention relates to novel compounds exhibiting good inhibitory activity versus Dipeptidyl Peptidase-IV (DPP-IV), methods of preparing the same and pharmaceutical compositions containing the same as an active agent.

  本发明涉及一种新型化合物，表现出良好的抑制二肽基肽酶-IV（DPP-IV）活性，制备该化合物的方法以及含有该化合物作为活性剂的制药组合物。
• Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity
  申请人：Johns Brian Alvin

  公开号：US20090318421A1

  公开（公告）日：2009-12-24

  The present invention is to provide a novel compound (I) shown below, having the anti-virus activity, particularly the HIV integrase inhibitory activity, and a drug containing the same, particularly an anti-HIV drug, as well as a process and an intermediate thereof. (wherein Z 1 is NR 4 ; R 1 is hydrogen or lower alkyl; X is a single bond, a hetero atom group selected from O, S, SO, SO 2 and NH, or lower alkylene or lower alkenylene in which the hetero atom group may intervene; R 2 is optionally substituted aryl; R 3 is hydrogen, a halogen, hydroxy, optionally substituted lower alkyl etc; and R 4 and Z 2 part taken together forms a ring, to form a polycyclic compound, including e.g., a tricyclic or tetracyclic compound.

  本发明提供了一种新型化合物(I)，如下所示，具有抗病毒活性，特别是HIV整合酶抑制活性，以及含有该化合物的药物，特别是抗HIV药物，以及其制备方法和中间体。(其中Z1为NR4;R1为氢或低碳基;X为单键，从O、S、SO、SO2和NH中选择的杂原子基团，或低碳基或低碳烯基，在其中杂原子基团可以介入;R2为可选取代芳基;R3为氢、卤素、羟基、可选取代的低碳基等;R4和Z2共同形成环，形成多环化合物，包括例如三环或四环化合物。
• POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY
  申请人：Johns Brian Alvin

  公开号：US20120115875A1

  公开（公告）日：2012-05-10

  The present invention is to provide a novel compound (I) shown below, having the anti-virus activity, particularly the HIV integrase inhibitory activity, and a drug containing the same, particularly an anti-HIV drug, as well as a process and an intermediate thereof. (wherein Z 1 is NR 4 ; R 1 is hydrogen or lower alkyl; X is a single bond, a hetero atom group selected from O, S, SO, SO 2 and NH, or lower alkylene or lower alkenylene in which the hetero atom group may intervene; R 2 is optionally substituted aryl; R 3 is hydrogen, a halogen, hydroxy, optionally substituted lower alkyl etc; and R 4 and Z 2 part taken together forms a ring, to form a polycyclic compound, including e.g., a tricyclic or tetracyclic compound.

  本发明提供了一种新型化合物（I），其具有抗病毒活性，特别是HIV整合酶抑制活性，以及含有该化合物的药物，特别是抗HIV药物，以及其制备方法和中间体。（其中Z1为NR4；R1为氢或低碳基；X为单键，从O、S、SO、SO2和NH中选择的杂原子基团，或低碳基或低碳烯基，其中杂原子基团可以介入；R2为可选取代芳基；R3为氢、卤素、羟基、可选取代的低碳基等；R4和Z2共同形成环，形成多环化合物，包括三环或四环化合物等。）
• SUBSTITUTED CYCLOPENTA[4,5]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINES AS HIV INTEGRASE INHIBITORS
  申请人：Shionogi & Co., Ltd.

  公开号：US20160137666A1

  公开（公告）日：2016-05-19

  The present invention is to provide a novel compound (I) shown below, having the anti-virus activity, particularly the HIV integrase inhibitory activity, and a drug containing the same, particularly an anti-HIV drug, as well as a process and an intermediate thereof. (wherein Z 1 is NR 4 ; R 1 is hydrogen or lower alkyl; X is a single bond, a hetero atom group selected from O, S, SO, SO 2 and NH, or lower alkylene or lower alkenylene in which the hetero atom group may intervene; R 2 is optionally substituted aryl; R 3 is hydrogen, a halogen, hydroxy, optionally substituted lower alkyl etc; and R 4 and Z 2 part taken together forms a ring, to form a polycyclic compound, including e.g., a tricyclic or tetracyclic compound.

  本发明提供了一种新型化合物(I)，如下所示，具有抗病毒活性，特别是HIV整合酶抑制活性，以及含有该化合物的药物，特别是抗HIV药物，以及其制备方法和中间体。(其中Z1为NR4;R1为氢或低碳基;X为单键，从O、S、SO、SO2和NH中选择的杂原子基团，或杂原子基团可能介入的低碳基或低烯基;R2为可选取代芳基;R3为氢、卤素、羟基、可选取代的低碳基等;R4和Z2共同形成环，形成多环化合物，包括三环或四环化合物等)。