2-methylmercapto-6-chlorobenzoxazole | 1071296-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-methylmercapto-6-chlorobenzoxazole
• 英文别名: 6-Chloro-2-(methylthio)-1,3-benzoxazole；6-chloro-2-methylsulfanyl-1,3-benzoxazole
• CAS: 1071296-64-4
• 化学式: C₈H₆ClNOS
• mdl: MFCD11696461
• 分子量: 199.661
• InChiKey: URXIJEWVHCFAHG-UHFFFAOYSA-N

物化性质

• 熔点：
  88-90 °C
• 沸点：
  310.4±34.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  51.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  2-methylmercapto-6-chlorobenzoxazole 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 6-chloro-2-(methylsulfinyl)benzo[d]oxazole
  参考文献：
  名称：

  WO2007/146066

  摘要：

  公开号：
• 作为产物：
  描述：

  碘甲烷 、 6-氯-2-巯基苯并恶唑 在 N,N-二异丙基乙胺 作用下， 以 丙酮 为溶剂， 反应 0.03h， 以99%的产率得到2-methylmercapto-6-chlorobenzoxazole
  参考文献：
  名称：

  An easy and fast ultrasonic selective S-alkylation of hetaryl thiols at room temperature

  摘要：

  A series of 2-alkylthio derivatives of hetaryl thiols were synthesized by selective S-alkylation with alkyl halides (bromides and iodides) with ultrasonic irradiation at room temperature. The reaction was found to be generally applicable to hetaryl thiol derivatives with different substituents in the aromatic nucleus and various alkyl halides. The reaction gives high to excellent yields of products with high purity. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ultsonch.2010.03.002

文献信息

• CURABLE COMPOSITION AND PROCESS FOR PRODUCING CURED COATING
  申请人：KUNITA Kazuto

  公开号：US20080200581A1

  公开（公告）日：2008-08-21

  A process for producing a cured coating is provided that includes a step of forming on a substrate a layer of a curable composition that includes at least one compound represented by Formula (I) and a step of curing the layer of the curable composition by irradiating with an electron beam. In Formula (I), Q 1 denotes a cyano group or a —COX 2 group, X 1 denotes a hydrogen atom, organic residue, or polymer chain bonded to carbon atom C A via a heteroatom, or a halogen atom, X 2 denotes a hydrogen atom, organic residue, or polymer chain bonded to the carbonyl group via a heteroatom, or a halogen atom, R a and R b independently denote a hydrogen atom, a halogen atom, a cyano group, or an organic residue, and X 1 and X 2 , R a and R b , and X 1 and R a or R b may be bonded to each other to form a cyclic structure. There is also provided an electron beam-curable composition that includes a compound represented by Formula (I).
• ANTIBIOTIC COMPOUNDS
  申请人：DISCUVA LTD.

  公开号：US20190194179A1

  公开（公告）日：2019-06-27

  The present invention relates to antibiotic compounds of formula (I), to compositions containing these compounds and to methods of treating bacterial diseases and infections using the compounds. The compounds find application in the treatment of infection with, and diseases caused by, Gram-positive and/or Gram-negative bacteria, and in particular in the treatment of infection with, and diseases caused by, Neisseria gonorrhoeae .
• US8008366B2
  申请人：——

  公开号：US8008366B2

  公开（公告）日：2011-08-30
• WO2007/146066
  申请人：——

  公开号：——

  公开（公告）日：——
• An easy and fast ultrasonic selective S-alkylation of hetaryl thiols at room temperature
  作者：Todor Deligeorgiev、Stefka Kaloyanova、Nedyalko Lesev、Juan J. Vaquero

  DOI：10.1016/j.ultsonch.2010.03.002

  日期：2010.6

  A series of 2-alkylthio derivatives of hetaryl thiols were synthesized by selective S-alkylation with alkyl halides (bromides and iodides) with ultrasonic irradiation at room temperature. The reaction was found to be generally applicable to hetaryl thiol derivatives with different substituents in the aromatic nucleus and various alkyl halides. The reaction gives high to excellent yields of products with high purity. (C) 2010 Elsevier B.V. All rights reserved.