2-oxo-5-ethenyloxazolidine-3-carboxylic acid tert-butyl ester | 1039644-53-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 2-oxo-5-ethenyloxazolidine-3-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 2-oxo-5-vinyloxazolidine-3-carboxylate；3-Boc-5-vinyl-2-oxazolidinone；tert-butyl 5-ethenyl-2-oxo-1,3-oxazolidine-3-carboxylate
• CAS: 1039644-53-5
• 化学式: C₁₀H₁₅NO₄
• 分子量: 213.233
• InChiKey: FNTSQPKTSPKZHB-UHFFFAOYSA-N

物化性质

• 熔点：
  104-109°C
• 沸点：
  250.1±43.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  2-oxo-5-ethenyloxazolidine-3-carboxylic acid tert-butyl ester 在 lithium hydroxide 作用下， 以 水 为溶剂， 以75%的产率得到(2-hydroxybut-3-en-1-yl)carbamic acid tert-butyl ester
  参考文献：
  名称：

  A new approach to the synthesis of the carbon framework of SC-84536, an inducible nitric oxide synthase inhibitor

  摘要：

  SC-84536, a selective inhibitor of inducible nitric oxide synthase (iNOS), is targeted for the treatment of osteoarthritis, neuropathic pain, and asthma. The initial technology for constructing this molecule was acceptable only for the preparation of small quantities of material, but was not practical for larger scale work. This Letter describes our effort toward developing an alternative synthetic route for the carbon framework of SC-84536. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.083
• 作为产物：
  描述：

  环氧丁烯 、 二碳酸二叔丁酯 、 氰尿酸 在 sodium hydroxide 、 4-二甲氨基吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 9.75h， 以68.5%的产率得到2-oxo-5-ethenyloxazolidine-3-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  A new approach to the synthesis of the carbon framework of SC-84536, an inducible nitric oxide synthase inhibitor

  摘要：

  SC-84536, a selective inhibitor of inducible nitric oxide synthase (iNOS), is targeted for the treatment of osteoarthritis, neuropathic pain, and asthma. The initial technology for constructing this molecule was acceptable only for the preparation of small quantities of material, but was not practical for larger scale work. This Letter describes our effort toward developing an alternative synthetic route for the carbon framework of SC-84536. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.083

文献信息

• Hepatitis B antiviral agents
  申请人：ENANTA PHARMACEUTICALS, INC.

  公开号：US10952978B2

  公开（公告）日：2021-03-23

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: X-A-Y-L-R  (I) which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了式（I）化合物或其药学上可接受的盐、酯或原药： X-A-Y-L-R (I) 其可抑制乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒 HBV 生命周期的功能，也可用作抗病毒药物。本发明进一步涉及包含上述化合物的药物组合物，用于给受 HBV 感染的患者用药。本发明还涉及通过施用包含本发明化合物的药物组合物治疗受试者 HBV 感染的方法。
• HEPATITIS B ANTIVIRAL AGENTS
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：EP3675637A1

  公开（公告）日：2020-07-08
• [EN] HEPATITIS B ANTIVIRAL AGENTS<br/>[FR] AGENTS ANTIVIRAUX CONTRE L'HÉPATITE B
  申请人：ENANTA PHARM INC

  公开号：WO2019046271A1

  公开（公告）日：2019-03-07

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.
• A new approach to the synthesis of the carbon framework of SC-84536, an inducible nitric oxide synthase inhibitor
  作者：Peter G.M. Wuts、Scott A. Ashford

  DOI：10.1016/j.tetlet.2008.04.083

  日期：2008.6

  SC-84536, a selective inhibitor of inducible nitric oxide synthase (iNOS), is targeted for the treatment of osteoarthritis, neuropathic pain, and asthma. The initial technology for constructing this molecule was acceptable only for the preparation of small quantities of material, but was not practical for larger scale work. This Letter describes our effort toward developing an alternative synthetic route for the carbon framework of SC-84536. (C) 2008 Elsevier Ltd. All rights reserved.