N-Benzyl-benzothiazolium | 54637-38-6

• 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: N-Benzyl-benzothiazolium
• 英文别名: 3-benzyl-benzothiazolium；3-Benzyl-1,3-benzothiazol-3-ium
• CAS: 54637-38-6
• 化学式: C₁₄H₁₂NS
• 分子量: 226.322
• InChiKey: DUYUXBIGMDWPQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 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：

  、 N-Benzyl-benzothiazolium 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 36.0h， 以68%的产率得到rac-(2R,2'E,4'S,5'E)-methyl 3-benzyl-1'-(4-chlorophenyl)-5'-(4-chlorophenylimino)-2'-(1-methoxycarbonylethylidene)-4'-methyl-3H-spiro[benzo[d]thiazole-2,3'-pyrrolidine]-4'-carboxylate
  参考文献：
  名称：

  前所未有的化学特异和立体选择性串联亲核加成/环加成反应的亲核碳宾与酮替尼。

  摘要：

  报道了对亲核性卡宾与酮亚胺之间反应的第一项研究。噻唑和苯并噻唑碳烯与酮亚胺的相互作用以化学特异性和立体选择性的方式进行，通常以高收率生产噻唑-和苯并噻唑-螺-吡咯衍生物。提出该反应是通过将卡宾串联亲核加成至酮亚胺的C═N键，然后将1，3-偶极中间体与酮亚胺的C═C键逐步[3 + 2]环加成而进行的。该反应为构建新的多官能噻唑-螺-吡咯或苯并噻唑-螺-吡咯化合物提供了有力的方案，而其他方法不易获得。

  DOI：

  10.1021/jo802289s

文献信息

• Crosslink Breakers for Preservation of Biological Substances
  申请人：Spiegel David

  公开号：US20150099260A1

  公开（公告）日：2015-04-09

  A preservative for body fluids, proteins, cells and tissues comprising an effective amount of an AGE crosslink breaker for preventing formation of advanced glycation end products. The AGE crosslink breaker comprises a compound of Structure (1): wherein V, W, X, Y and Z are any atom suitable for a heterocyclic carbene or carbene precursor framework, including B, C, O, N, S, Se, P, and As in any chemically-feasible oxidation state; wherein Q, R, M, T and U are any atom or substituent, including but not limited to, H, CL n , NL n , PL n , OL n , SL n , SeL n , L n Cl, L n Br, L n I, wherein L is any atom, substituent or group, and n is any integer such that Q, R, M, T, and U can access all chemically-feasible oxidation states; and wherein G comprises any charged counter ion including, but not limited to those derived from C, O, N, B, Al, S, Se, Cl, Br, I in any chemically-feasible oxidation state.

  一种用于体液、蛋白质、细胞和组织的防腐剂，包括一种有效量的AGE交联断裂剂，用于预防高级糖基化终产物的形成。AGE交联断裂剂包括结构（1）中的化合物： 其中V、W、X、Y和Z是适用于杂环卡宾或卡宾前体框架的任何原子，包括B、C、O、N、S、Se、P和As在任何化学上可行的氧化态； 其中Q、R、M、T和U是任何原子或取代基，包括但不限于H、CLn、NLn、PLn、OLn、SLn、SeLn、LnCl、LnBr、LnI，其中L是任何原子、取代基或基团，n是任何整数，使得Q、R、M、T和U可以访问所有化学上可行的氧化态；以及 其中G包括任何带电的对离子，包括但不限于那些来源于C、O、N、B、Al、S、Se、Cl、Br、I在任何化学上可行的氧化态。
• ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE
  申请人：Ishitsuka Kenichi

  公开号：US20130037753A1

  公开（公告）日：2013-02-14

  Disclosed is an organic electronic material comprising charge transporting compounds and ionic compounds having electron-accepting properties and high solubility in a solvent. The organic electronic material is characterized by comprising charge transporting compounds and ionic compounds, and in that at least one of the ionic compounds is any one kind of compounds represented by general formulas (1b)-(3b). (In the formulas Y 1 -Y 6 each independently represent a divalent linking group, R 1 -R 6 each independently represent an electron-attracting organic substituent (these structures can further have substituents and hetero-atoms, and R 1 , R 2 and R 3 , or, R 4 -R 6 can respectively combine and become a ring shape or a polymer shape) and L + represents a monovalent cation.)

  本文揭示了一种有机电子材料，包括具有电荷传输化合物和具有接受电子性质且在溶剂中具有高溶解度的离子化合物。该有机电子材料的特点在于包括电荷传输化合物和离子化合物，并且至少其中一个离子化合物是由通用式（1b）-（3b）表示的化合物中的任意一种。（在式中，Y1-Y6分别表示二价连接基团，R1-R6分别表示吸引电子的有机取代基（这些结构可以进一步具有取代基和杂原子，且R1、R2和R3，或者R4-R6可以分别结合形成环状或聚合物形状），L+表示一价阳离子。）
• CURABLE COMPOSITION AND CURED ARTICLE USING SAME
  申请人：SAN-APRO LTD.

  公开号：US20180329297A1

  公开（公告）日：2018-11-15

  The heat- or energy ray-curable composition for members contains an onium gallate salt having a specific structure. The invention is a heat- or energy ray-curable composition comprising a cationic polymerizable compound and an acid generator containing an onium gallate salt represented by general formula (1). In formula (1), R 1 -R 4 are each independently an alkyl group having 1 to 18 carbon atoms or Ar; however, at least one is Ar; Ar is an aryl group having 6 to 14 carbon atoms (not including the number of carbon atoms in the following substituents); some of the hydrogen atoms in the aryl group may be substituted by alkyl groups having 1 to 18 carbon atoms or the like; E represents an element of valence n of group 15 to group 17 (IUPAC notation); n is an integer of 1-3; and R 5 is an organic group bonded to E.

  该成员的热固化或能量光固化组合物包含具有特定结构的酚酸盐。该发明是一种热固化或能量光固化组合物，包括阳离子可聚合化合物和含有由通式（1）表示的酚酸盐的酸发生剂。在通式（1）中，R1-R4分别是具有1至18个碳原子的烷基基团或Ar；但至少有一个是Ar；Ar是具有6至14个碳原子的芳基团（不包括以下取代基中的碳原子数）；芳基团中的一些氢原子可以被具有1至18个碳原子的烷基基团或类似物所取代；E表示15族到17族（IUPAC符号）的n价元素；n是1-3的整数；R5是与E结合的有机基团。
• SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOCURABLE COMPOSITION AND CURED BODY THEREOF
  申请人：Suzuki Issei

  公开号：US20110039205A1

  公开（公告）日：2011-02-17

  An object of the present invention is to provide a sulfonium salt that has sufficient photosensitivity by active energy rays, such as visible light, ultraviolet rays, electron beams, and X-rays. The present invention is a sulfonium salt represented by formula (1). It is noted that R 1 is a group represented by formula (2); R 2 and R 3 each represent an aryl group having 6 to 30 carbon atoms, a heterocyclic hydrocarbon group having 4 to 30 carbon atoms, an alkyl group having 1 to 30 carbon atoms, an alkenyl group having 2 to 30 carbon atoms, or an alkynyl group having 2 to 30 carbon atoms; X − represents a monovalent polyatomic anion; R 4 to R 6 each represent an alkyl group, or the like; k represents an integer of 0 to 4; m represents an integer of 0 to 3; n represents an integer of 0 to 4; and A represents a group represented by —S—, —O—, —SO—, —SO 2 —, or —CO—.

  本发明的目的是提供一种具有足够光敏度的烷基硫鎓盐，能够通过活性能量射线，如可见光、紫外线、电子束和X射线来激发。本发明是一种由式（1）表示的烷基硫鎓盐。其中，R1是由式（2）表示的基团；R2和R3分别表示具有6至30个碳原子的芳基基团、具有4至30个碳原子的杂环烃基团、具有1至30个碳原子的烷基基团、具有2至30个碳原子的烯基基团或具有2至30个碳原子的炔基基团；X-表示单价多原子阴离子；R4至R6分别表示烷基基团或类似物；k表示0至4的整数；m表示0至3的整数；n表示0至4的整数；A表示由—S—、—O—、—SO—、—SO2—或—CO—表示的基团。
• Composition for resist underlayer film and method for producing the same
  申请人：JSR Corporation

  公开号：EP1045290A2

  公开（公告）日：2000-10-18

  Disclosed are a composition for a resist underlayer film excellent in reproducibility of a resist pattern, excellent in adhesion to a resist, excellent in resistance to a developing solution used after exposure of the resist and decreased in film loss in oxygen ashing of the resist; and a method for producing the same, the composition comprising: both or either of a hydrolysate and a condensate of (A) at least one compound selected from the group consisting of (A-1) a compound represented by the following general formula (1):         R1aSi(OR2)4-a     (1) wherein R1 represents a hydrogen atom, a fluorine atom or a univalent organic group, R2 represents a univalent organic group, and a represents an integer of 0 to 2, and (A-2) a compound represented by the following general formula (2):         R3b(R4O)3-bSi-(R7)d-Si(OR5)3-cR6c     (2) wherein R3, R4, R5 and R6, which may be the same or different, each represent univalent organic groups, b and c, which may be the same or different, each represent integers of 0 to 2, R7 represents an oxygen atom or -(CH2)n-, d represents 0 or 1, and n represents an integer of 1 to 6; and (B) a compound generating an acid by ultraviolet irradiation and/or heating.

  本发明公开了一种用于抗蚀剂底层薄膜的组合物，该组合物在抗蚀剂图案的再现性、与抗蚀剂的粘附性、对抗蚀剂曝光后使用的显影液的耐受性方面表现优异，并且在抗蚀剂的氧灰化过程中减少了薄膜的损失；以及生产该组合物的方法，该组合物包括 (A) 至少一种选自以下组别的化合物的水解物和缩合物 (A-1) 由以下通式(1)代表的化合物： R1aSi(OR2)4-a (1) 其中 R1 代表氢原子、氟原子或单价有机基团，R2 代表单价有机基团，a 代表 0 至 2 的整数，以及 (A-2) 由下式通式 (2) 代表的化合物： R3b(R4O)3-bSi-(R7)d-Si(OR5)3-cR6c (2) 其中 R3、R4、R5 和 R6（可以相同或不同）分别代表单价有机基团，b 和 c（可以相同或不同）分别代表 0 至 2 的整数，R7 代表氧原子或-(CH2)n-，d 代表 0 或 1，n 代表 1 至 6 的整数；以及 (B) 通过紫外线照射和/或加热生成酸的化合物。

表征谱图