2-((tert-butoxycarbonylamino)methyl)acrylic acid | 1233234-94-0

• 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: 2-((tert-butoxycarbonylamino)methyl)acrylic acid
• 英文别名: α-(tert-butoxycarbonylaminomethyl)acrylic acid；2-({[(Tert-butoxy)carbonyl]amino}methyl)prop-2-enoic acid；2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoic acid
• CAS: 1233234-94-0
• 化学式: C₉H₁₅NO₄
• 分子量: 201.222
• InChiKey: QTSFAERFJTVOQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-((tert-butoxycarbonylamino)methyl)acrylic acid 在 [Rh((R,R)-Cy-SMS-Phos)(MeOH)2]BF4 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、100.0 kPa 条件下， 反应 0.07h， 生成 (R)-3-(Boc-氨基)异丁酸
  参考文献：
  名称：

  Impact on Hydrogenation Catalytic Cycle of the R Groups’ Cyclic Feature in “R-SMS-Phos”

  摘要：

  A series of R-SMS-Phos ligands was evaluated in the Rh(I)-catalyzed hydrogenation of a set of olefins showing a marked influence of the cyclic nature and structure of the R groups. Overall, cPen- and Cy-SMS-Phos performed efficiently, while Ph- and Bn-SMS-Phos exhibited slower kinetics and furnished lower ee's also compared with C6F5CH2-SMS-Phos. The Rh(I)-(Cy-SMS-Phos) catalyst was screened under mild conditions displaying excellent enantioselectivities and high TOFs. Cases of catalysis under catalyst or substrate control were identified.

  DOI：

  10.1021/ol101029s
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 在 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 以3.35 g的产率得到2-((tert-butoxycarbonylamino)methyl)acrylic acid
  参考文献：
  名称：

  Impact on Hydrogenation Catalytic Cycle of the R Groups’ Cyclic Feature in “R-SMS-Phos”

  摘要：

  A series of R-SMS-Phos ligands was evaluated in the Rh(I)-catalyzed hydrogenation of a set of olefins showing a marked influence of the cyclic nature and structure of the R groups. Overall, cPen- and Cy-SMS-Phos performed efficiently, while Ph- and Bn-SMS-Phos exhibited slower kinetics and furnished lower ee's also compared with C6F5CH2-SMS-Phos. The Rh(I)-(Cy-SMS-Phos) catalyst was screened under mild conditions displaying excellent enantioselectivities and high TOFs. Cases of catalysis under catalyst or substrate control were identified.

  DOI：

  10.1021/ol101029s

文献信息

• [EN] PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS<br/>[FR] PYRROLOPYRIMIDINES EN TANT QU'INHIBITEURS DE KINASE JANUS
  申请人：MERCK SHARP & DOHME

  公开号：WO2013085802A1

  公开（公告）日：2013-06-13

  The instant invention provides compounds of formula I which are JAK3 inhibitors. Specifically, the compounds of formula I are pyrrolo[2,3-d]pyrimidine derivative compounds. The instant invention also provides methods of treating JAK-mediated diseases such as rheumatoid arthritis, asthma, COPD and cancer, by administering the pyrrolo[2,3-d]pyrimidine-derivative compounds of formula I.

  这项即时发明提供了化合物I的公式，这些化合物是JAK3抑制剂。具体来说，化合物I的公式是吡咯并[2,3-d]嘧啶衍生物化合物。该即时发明还提供了治疗JAK介导疾病，如类风湿性关节炎、哮喘、慢性阻塞性肺病和癌症的方法，通过给予公式I的吡咯并[2,3-d]嘧啶衍生物化合物。
• Pyrrolopyrimidines as janus kinase inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US08993756B2

  公开（公告）日：2015-03-31

  The instant invention provides compounds of formula I which are JAK3 inhibitors. Specifically, the compounds of formula I are pyrrolo[2,3-d]pyrimidine derivative compounds. The instant invention also provides methods of treating JAK-mediated diseases such as rheumatoid arthritis, asthma, COPD and cancer, by administering the pyrrolo[2,3-d]pyrimidine-derivative compounds of formula I.

  本发明提供了式I的化合物，它们是JAK3抑制剂。具体而言，式I的化合物是吡咯并[2,3-d]嘧啶衍生物化合物。本发明还提供了使用式I的吡咯并[2,3-d]嘧啶衍生物化合物治疗JAK介导的疾病，如类风湿性关节炎、哮喘、COPD和癌症的方法。
• PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20140349998A1

  公开（公告）日：2014-11-27

  The instant invention provides compounds of formula I which are JAK3 inhibitors. Specifically, the compounds of formula I are pyrrolo[2,3-d]pyrimidine derivative compounds. The instant invention also provides methods of treating JAK-mediated diseases such as rheumatoid arthritis, asthma, COPD and cancer, by administering the pyrrolo[2,3-d]pyrimidine-derivative compounds of formula I.

  本发明提供了公式I的化合物，这些化合物是JAK3抑制剂。具体来说，公式I的化合物是吡咯并[2,3-d]嘧啶衍生物化合物。本发明还提供了使用公式I的吡咯并[2,3-d]嘧啶衍生物化合物治疗JAK介导的疾病，如类风湿性关节炎、哮喘、慢性阻塞性肺病和癌症的方法。
• PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2788000A1

  公开（公告）日：2014-10-15
• US8993756B2
  申请人：——

  公开号：US8993756B2

  公开（公告）日：2015-03-31