3-苄基-4-氯-2-氧代-2,3-二氢-1,3-噻唑-5-甲醛 | 497082-20-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-苄基-4-氯-2-氧代-2,3-二氢-1,3-噻唑-5-甲醛
• 英文名称: 3-benzyl-4-chloro-2-oxo-2,3-dihydrothiazole-5-carbaldehyde
• 英文别名: 3-Benzyl-4-chloro-2-oxo-2,3-dihydro-1,3-thiazole-5-carbaldehyde；3-benzyl-4-chloro-2-oxo-1,3-thiazole-5-carbaldehyde
• CAS: 497082-20-9
• 化学式: C₁₁H₈ClNO₂S
• mdl: MFCD03085539
• 分子量: 253.709
• InChiKey: MCIMMWBPHJTTOM-UHFFFAOYSA-N

物化性质

• 沸点：
  375.4±52.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-苄基-4-氯-2-氧代-2,3-二氢-1,3-噻唑-5-甲醛 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 2.58h， 生成 5-amino-3-benzyl-3H-thiazolo[4,5-d]pyrimidin-2-one
  参考文献：
  名称：

  WO2006/66080

  摘要：

  公开号：
• 作为产物：
  描述：

  3-benzylthiazolin-2,4-dione 在 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.08h， 生成 3-苄基-4-氯-2-氧代-2,3-二氢-1,3-噻唑-5-甲醛
  参考文献：
  名称：

  WO2006/66080

  摘要：

  公开号：

文献信息

• Scope and Limitations of the T-Reaction Employing Some Functionalized C-H-Acids and Naturally Occurring Secondary Amines
  作者：Constantin Rabong、Christian Hametner、Kurt Mereiter、Victor G. Kartsev、Ulrich Jordis

  DOI：10.3987/com-07-11260

  日期：——

  Scope and limitations of the T-reaction with emphasis on using chiral, natural products as starting materials to prepare novel chiral heterocycles is studied and the diastereoselective introduction of newly formed stereocenters is explained via proposed mechanisms.

  研究了 T 反应的范围和局限性，重点是使用手性天然产物作为起始材料制备新型手性杂环，并通过提出的机制解释了新形成的立体中心的非对映选择性引入。
• 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF
  申请人：Webber Stephen E.

  公开号：US20110275589A1

  公开（公告）日：2011-11-10

  The invention is directed to 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof that have immunomodulatory activity. The invention is also directed to the therapeutic or prophylactic use of such compounds and pharmaceutical compositions containing them, and to methods of treating diseases and disorders described herein, by administering effective amounts of such compounds and prodrugs.

  本发明涉及具有免疫调节活性的3,5-二取代和3,5,7-三取代-3H-噁唑并[4,5-d]嘧啶-2-酮化合物及其前药。本发明还涉及使用此类化合物及其前药的治疗或预防用途，以及含有它们的制药组合物和通过给予这些化合物和前药的有效量来治疗本文所述疾病和疾病的方法。
• 3,5-Disubstituted and 3,5,7-Trisubstituted-3H-Oxazolo and 3H-Thiazolo[4,5-d]pyrimidin-2-one Compounds and Prodrugs Thereof
  申请人：Webber Stephen E.

  公开号：US20130259831A1

  公开（公告）日：2013-10-03

  The invention is directed to 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof that have immunomodulatory activity. The invention is also directed to the therapeutic or prophylactic use of such compounds and pharmaceutical compositions containing them, and to methods of treating diseases and disorders described herein, by administering effective amounts of such compounds and prodrugs.

  该发明涉及具有免疫调节活性的3,5-二取代和3,5,7-三取代-3H-噁唑并[4,5-d]嘧啶-2-酮化合物及其前药。该发明还涉及使用这些化合物的治疗或预防用途，以及含有它们的制药组合物，以及通过给予这些化合物和前药的有效量来治疗本文所述的疾病和障碍的方法。
• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。
• 3, 5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO [4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF
  申请人：Anadys Pharmaceuticals, Inc.

  公开号：EP1824482B1

  公开（公告）日：2014-02-12