3-methyl-benzothiazolium | 697-66-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 3-methyl-benzothiazolium
• 英文别名: 3-methyl-benzothiazolium cation；3-Methyl-1,3-benzothiazol-3-ium
• CAS: 697-66-5
• 化学式: C₈H₈NS
• 分子量: 150.224
• InChiKey: UKJRKKQWBUZLPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  32.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-methyl-benzothiazolium 在 potassium fluoride 、 四氯化锡 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-Methyl-2-phenyl-benzthiazolium
  参考文献：
  名称：

  由2-芳基-2,3-二氢苯并噻唑制备2,3-二氢-1,4-苯并噻嗪的扩环方法

  摘要：

  在二甲基甲酰胺（DMF）中存在KF的情况下，2-芳基-2,3-二氢苯并噻唑与α-卤代酮反应以提供高收率的2,3-二氢-2,3-二取代-1,4-苯并噻嗪。

  DOI：

  10.1016/s0040-4039(00)99070-1
• 作为产物：
  描述：

  2-acetyl-3-methylbenzothiazolium cation 在 hydroxide 、 sodium chloride 作用下， 生成 3-methyl-benzothiazolium 、 乙酸盐
  参考文献：
  名称：

  Unusual deacylations: the 2-acetyl-3-methylbenzothiazolium cation

  摘要：

  DOI：

  10.1021/ja00172a044

文献信息

• Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin
  申请人：KOEI CHEMICAL COMPANY, LIMITED

  公开号：US10689478B2

  公开（公告）日：2020-06-23

  Provided is an amidate compound represented by the formula (1): wherein A is a substituted or unsubstituted hydrocarbon group, n is an integer of 1 or more, and D is a nitrogen-containing organic group represented by the formula (2): wherein R1, R2, and R3 are the same or different, and are each a hydrocarbon group that may contain a heteroatom; some or all of R1, R2, and R3 may be bonded together to form a ring structure; X is a nitrogen atom, an oxygen atom, or a sulfur atom; and a is 0 or 1, wherein a is 1 when X is a nitrogen atom, and a is 0 when X is an oxygen atom or a sulfur atom.

  提供的是由式（1）表示的酰胺化合物：其中A是取代或未取代的碳氢基团，n是大于或等于1的整数，D是由式（2）表示的含氮有机基团：其中R1、R2和R3相同或不同，均为可能含有杂原子的碳氢基团；R1、R2和R3中的一些或全部可能结合在一起形成环结构；X是氮原子、氧原子或硫原子；a为0或1，当X为氮原子时，a为1，当X为氧原子或硫原子时，a为0。
• Fluorescent dyes
  申请人：Gasper Marie Susan

  公开号：US20070154980A1

  公开（公告）日：2007-07-05

  Fluorescent dyes useful for detecting a target material in biological assays an electron donating moiety which is linked by a conjugated π-electron bridge to an electron accepting moiety. The π-electron bridge includes at least one carbocyclic ring structure or heterocyclic ring structure. The electron accepting moiety is a carboxylic acid, a salt of a carboxylic acid, or has the formula: wherein: X 8 is selected from the group consisting of H, CH 3 , and (CH 2 ) n6 -Z 2 − , where Z 2 − is a monovalent anion; and n 6 is an integer from 1 through 10; and Q 3 is O or S.

  荧光染料用于生物分析中检测目标物质，其中包括通过共轭π-电子桥连接的供电子基团和受电子基团。π-电子桥包括至少一个碳环结构或杂环结构。受电子基团是羧酸、羧酸盐，或具有以下结构式： 其中： X8选自H、CH3和(CH2)n6-Z2−的群，其中Z2−是一价阴离子；n6是1至10之间的整数；以及Q3是O或S。
• Preparation of alpha-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes
  申请人：Jackstell Ralf

  公开号：US20080051608A1

  公开（公告）日：2008-02-28

  The present invention relates to the preparation of α-hydroxy ketones of the general formula I. In particular, the invention relates to novel imidazolinium carboxylate adducts and to a novel process for using catalytic amounts of imidazolium and imidazolinium carboxylate adducts in the acyloin reaction of aldehydes to prepare hydroxy ketones of the general formula I, where R and R′ are the same or different and are each H or a straight-chain or branched and optionally substituted C 1 -C 12 -alkyl radical, and R″═H 3 CSCH 2 CH 2 , t-butyl, n-butyl, sec-butyl, n-propyl, i-propyl, an optionally heteroatom-substituted C 6 -C 18 -aryl, heteroaryl, C 6 -C 18 -arylalkyl, especially phenylmethyl, where phenyl may again be heteroatom-substituted, or heteroalkyl.

  本发明涉及通式I的α-羟基酮的制备。特别是，本发明涉及新型咪唑啉酮酸盐加合物以及一种新的过程，该过程利用咪唑和咪唑啉酮酸盐加合物的催化量在醛的酰乙醇反应中制备通式I的羟基酮，其中R和R′相同或不同，每个都是H或直链或支链且可选择取代的C1-C12烷基基团，而R″=H3CSCH2CH2、叔丁基、正丁基、异丁基、正丙基、异丙基、可选择杂原子取代的C6-C18芳基、杂原子芳基、C6-C18芳基烷基，特别是苯甲基，其中苯可能再次被杂原子取代，或者杂原子烷基。
• Cationic Pyrazolone Dyes, Method for Production Thereof and Coloring Agents for Keratin Fibers Containing Said Compounds
  申请人：Speckbacher Markus

  公开号：US20080263787A1

  公开（公告）日：2008-10-30

  The present application relates to cationic pyrazolone dyes of the general formula (I), and to coloring agents for keratin fibers comprising these dyes.

  本申请涉及通式（I）的阳离子吡唑酮染料，以及包含这些染料的角蛋白纤维着色剂。
• WATER-SOLUBLE AIE LUMINOGENS FOR MONITORING AND RETARDATION OF FIBRILLATION OF AMYLOID PROTEINS
  申请人：THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY

  公开号：US20150031607A1

  公开（公告）日：2015-01-29

  Compounds that exhibit aggregation induced emission (AIE), and more particularly to water-soluble conjugated polyene compounds that exhibit aggregation induced emission. The conjugated polyene compounds can be used as bioprobes for DNA detection, G-quadruplex identification, and potassium-ion sensing. The polyenes also can be utilized as an external fluorescent marker to study conformational structures, to monitor folding processes of label-free oligonucleotides with G-rich strand sequences, and to visualize DNA bands in PAGE assay. The polyenes have applications in high-throughput anticancer drug screening and are useful for the development of efficient anti-cancer drugs. Furthermore, the present subject matter can also be used to monitor fibrillation of amyloid proteins and to facilitate the storage and delivery thereof.

  本发明涉及表现聚集诱导发光（AIE）的化合物，更具体地涉及表现聚集诱导发光的水溶性共轭多烯化合物。这些共轭多烯化合物可用作生物探针，用于DNA检测、G-四链体识别和钾离子感应。此外，这些多烯化合物还可用作外部荧光标记物，用于研究构象结构，监测无标记寡核苷酸与G富含链序列的折叠过程，并在PAGE测定中可视化DNA带。这些多烯化合物在高通量抗癌药物筛选中具有应用价值，并可用于开发高效的抗癌药物。此外，本发明还可用于监测淀粉样蛋白的纤维化，并促进其储存和传递。