(tert-butylamino)(oxo)acetyl chloride | 87039-72-3

• 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-butylamino)(oxo)acetyl chloride
• 英文别名: N-tert-Butyloxamoyl Chloride；2-(tert-butylamino)-2-oxoacetyl chloride
• CAS: 87039-72-3
• 化学式: C₆H₁₀ClNO₂
• 分子量: 163.604
• InChiKey: RCJQHXLFKXLFDW-UHFFFAOYSA-N

物化性质

• 熔点：
  90-91 °C(Solv: carbon tetrachloride (56-23-5))
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-氨基苯酞 、 (tert-butylamino)(oxo)acetyl chloride 在 吡啶 作用下， 生成 N'-tert-butyl-N-(1-oxo-3H-2-benzofuran-5-yl)oxamide
  参考文献：
  名称：

  The design, synthesis and in vitro immunosuppressive evaluation of novel isobenzofuran derivatives

  摘要：

  The synthesis and biological evaluation of a series of novel isobenzofuran-based compounds are described. The compounds were evaluated for their immunosuppressive effects of T-cell proliferation and IMPDH type II inhibitor activity in vitro, as well as their structure-activity relationships were assessed. Several compounds demonstrated highly efficacious immunosuppressive properties, especially compounds 2d, 2e, 2h and 2j, which were superior to MPA, while compounds 2k, 2m, 2n, 4c and 5d exhibited an equipotent inhibitory activity compared to MPA. Generally, it was obviously demonstrated that alpha,beta-unsaturated amides proved more potent than the diamide and urea series. The present study provides a guide for further research on development of safe and effective immunosuppressive agents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.078
• 作为产物：
  描述：

  (叔丁基氨基)(氧代)乙酸 在 草酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 (tert-butylamino)(oxo)acetyl chloride
  参考文献：
  名称：

  The design, synthesis and in vitro immunosuppressive evaluation of novel isobenzofuran derivatives

  摘要：

  The synthesis and biological evaluation of a series of novel isobenzofuran-based compounds are described. The compounds were evaluated for their immunosuppressive effects of T-cell proliferation and IMPDH type II inhibitor activity in vitro, as well as their structure-activity relationships were assessed. Several compounds demonstrated highly efficacious immunosuppressive properties, especially compounds 2d, 2e, 2h and 2j, which were superior to MPA, while compounds 2k, 2m, 2n, 4c and 5d exhibited an equipotent inhibitory activity compared to MPA. Generally, it was obviously demonstrated that alpha,beta-unsaturated amides proved more potent than the diamide and urea series. The present study provides a guide for further research on development of safe and effective immunosuppressive agents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.078

文献信息

• [EN] SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE TRIAZOLE SUBSTITUÉS ET UTILISATIONS ASSOCIÉES
  申请人：BAYER PHARMA AG

  公开号：WO2019081306A1

  公开（公告）日：2019-05-02

  The present invention relates to novel substituted 1,2,4-triazole derivatives, to processes for the preparation of such compounds, to pharmaceutical compositions containing such compounds, and to the use of such compounds or compositions for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of renal and cardiovascular diseases.

  本发明涉及新型取代的1,2,4-三唑衍生物，涉及制备这类化合物的方法，含有这类化合物的药物组合物，以及利用这类化合物或组合物治疗和/或预防疾病，特别是治疗和/或预防肾脏和心血管疾病。
• Substituted triazole derivatives and uses thereof
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US11230540B2

  公开（公告）日：2022-01-25

  The present invention relates to novel substituted 1,2,4-triazole derivatives, to processes for the preparation of such compounds, to pharmaceutical compositions containing such compounds, and to the use of such compounds or compositions for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of renal and cardiovascular diseases.

  本发明涉及新型取代的 1,2,4-三唑衍生物、制备此类化合物的工艺、含有此类化合物的药物组合物，以及使用此类化合物或组合物治疗和/或预防疾病，特别是治疗和/或预防肾病和心血管疾病。
• Cleavage of silicon-nitrogen bonds by acid chlorides: an unusual synthetic route to amides
  作者：James R. Bowser、Pamela J. Williams、Kenneth Kurz

  DOI：10.1021/jo00170a050

  日期：1983.11
• BOWSER, J. R.;WILLIAMS, P. J.;KURZ, K., J. ORG. CHEM., 1983, 48, N 22, 4111-4113
  作者：BOWSER, J. R.、WILLIAMS, P. J.、KURZ, K.

  DOI：——

  日期：——
• SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP3700899A1

  公开（公告）日：2020-09-02