4,5,5-trimethyloxazolidin-2-one | 39922-48-0

• 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: 4,5,5-trimethyloxazolidin-2-one
• 英文别名: 4,5,5-Trimethyl-2-oxazolidon；4,5,5-Trimethyl-1,3-oxazolidin-2-one
• CAS: 39922-48-0
• 化学式: C₆H₁₁NO₂
• mdl: MFCD19219282
• 分子量: 129.159
• InChiKey: RAOONYALMQYODQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基-2-丁醇 在 C₃₄H₁₈F₁₀IrN₄^(1-)*F₆P⁽¹⁺⁾ 、 三乙胺 、 N,N-二异丙基乙胺 、 (4S,4S')-(-)-2,2'-(1-methylethylidene)bis[4,5-dihydro-4-(phenylmethyl)oxazole] 、 nickel dichloride 作用下， 以 四氢呋喃 、 甲苯 、 乙腈 为溶剂， 反应 5.0h， 生成 4,5,5-trimethyloxazolidin-2-one
  参考文献：
  名称：

  可控制的分子内未激活的C（sp3）-H氨基化和氨基甲酸酯的氧合

  摘要：

  双重控制的分子内未活化的C（sp 3）-H氨基化和氨基甲酸酯的氧合将可见光光催化和地球过渡金属催化结合在一起的报道。有用的氨基醇和二醇衍生物可以从容易获得的叔醇衍生物中选择性地获得。已经通过1，5-HAT方法，接着路易斯酸控制的环化，提出了可能的机理。镍和锌催化剂分别抑制氧合和胺化产物的形成。还观察到有趣的手性转移现象。

  DOI：

  10.1021/acs.orglett.8b03299

文献信息

• Synthesis of Oxazolidin-2-ones and Imidazolidin-2-ones Directly from 1,3-Diols or 3-Amino Alcohols using Iodobenzene Dichloride and Sodium Azide
  作者：Tian He、Wen-Chao Gao、Wei-Kun Wang、Chi Zhang

  DOI：10.1002/adsc.201300982

  日期：2014.3.24

  A general and efficient method for the synthesis of oxazolidin‐2‐ones and imidazolidin‐2‐ones directly from 1,3‐diols and 3‐amino alcohols has been developed using the same reagent combination of iodobenzene dichloride (PhICl2) and sodium azide (NaN3).

  使用碘代二氯二苯甲烷（PhICl 2）和叠氮化钠的相同试剂组合，开发了一种直接，直接由1,3-二醇和3-氨基醇合成恶唑烷-2-酮和咪唑啉-2-酮的通用有效方法。（NaN 3）。
• [EN] HEPATITIS B ANTIVIRAL AGENTS<br/>[FR] AGENTS ANTIVIRAUX DE L'HÉPATITE B
  申请人：ENANTA PHARM INC

  公开号：WO2019191166A1

  公开（公告）日：2019-10-03

  The present invention discloses compounds of Formula (I), and 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.

  本发明揭示了式（I）的化合物，以及其药学上可接受的盐、酯或前药，其抑制由乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒的生命周期功能，并且还可用作抗病毒剂。本发明还涉及包含上述化合物的制药组合物，用于治疗患有HBV感染的受试者。本发明还涉及通过给予含有本发明化合物的制药组合物来治疗受试者的HBV感染的方法。
• Hepatitis B antiviral agents
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US10729688B2

  公开（公告）日：2020-08-04

  The present invention discloses compounds of Formula (I), and 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.

  本发明公开了式（I）化合物及其药学上可接受的盐、酯或原药： 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：US20190321360A1

  公开（公告）日：2019-10-24

  The present invention discloses compounds of Formula (I), and 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.
• US5801249A
  申请人：——

  公开号：US5801249A

  公开（公告）日：1998-09-01