N-2-苯并噻唑基-2-苯并恶唑胺 | 41334-56-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 中文名称: N-2-苯并噻唑基-2-苯并恶唑胺
• 英文名称: 2-(2-Benzothiazolylamino)benzoxazole
• 英文别名: 2-Benzoxazolyl-2'-benzothiazolylamin；2-(2-aminobenzothiazolylamino)benzoxazole；benzooxazol-2-yl-benzothiazol-2-yl-amine；btz-boz；N-(1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
• CAS: 41334-56-9
• 化学式: C₁₄H₉N₃OS
• mdl: MFCD02253151
• 分子量: 267.311
• InChiKey: LOEDWVLWOJXEGC-UHFFFAOYSA-N

物化性质

• 熔点：
  265-266 °C(Solv: 1-butanol (71-36-3))
• 沸点：
  446.4±28.0 °C(Predicted)
• 密度：
  1.465±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  cobalt(II) diacetate tetrahydrate 、 N-2-苯并噻唑基-2-苯并恶唑胺 以 甲醇 为溶剂， 以52%的产率得到[cobalt(II)(2-(2-aminobenzothiazolylamino)benzoxazole)2]
  参考文献：
  名称：

  Coordination compounds in a pentacyclic aromatic system from 2-aminobenzothiazole derivatives and transition metal ions

  摘要：

  Herein we report the syntheses and structural analyses of coordination compounds derived from 2-(2-benzothiazolylamino)benzothiazole, bis-btz (1), 2-(2-aminobenzothiazolylamino)benzoxazole, btz-boz (2) and 2-(2-benzothiazolylamino) benzimidazole, btz-bz (3). Ligands 1-3 are aromatic heterocycles prepared from 2-aminobenzothiazole that differ by the heteroatom (S, O, N) at position 12. These heterocycles were reacted with cobalt(II), nickel(II), and zinc(II) acetates; in addition, ligand I with mercury(II) acetate. The coordination compounds were characterized in the solid state by UV-Vis-NIR reflectance spectra, IR, X-ray diffraction and mass spectrometry. Unusual electronic spectra of Co2+ and Ni2+ compounds, indicated the participation of the metal ion in the ligand electronic delocalization. The N-H group was, in all cases, deprotonated and coordination to the metal ion occurs through the nitrogen atoms N(3) and N(13), forming a six-membered ring in a planar pentacyclic aromatic system. A distorted tetrahedral geometry is stabilized for ML2 complexes (M2+ = Co, Ni, Zn; L = 1-3) and for the (bis-btz)(2)Hg2+ compound, while nickel in [Ni(btz-bOZ)(2)(MeOH)] is square pyramidal and octahedral in [Ni(L)(OAc)(MeOH)(2)] (L = 1-3). Solid state structures showed 1D and 2D supramolecular arrangements. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.03.003
• 作为产物：
  描述：

  2-氨基苯并噻唑 、 2-Sulfo-benzoxazol-Ion 以 水 为溶剂， 生成 N-2-苯并噻唑基-2-苯并恶唑胺
  参考文献：
  名称：

  Compounds with potential antituberculosis activity

  摘要：

  DOI：

  10.1007/bf00771508

文献信息

• A Facile Synthesis of 2-(2-Benzothiazolylamino)-1,3-heterazoles
  作者：J. Garín、E. Meléndez、F. L. Merchán、D. Ortiz、T. Tejero

  DOI：10.1055/s-1987-27946

  日期：——

  A simple and versatile method for the synthesis of molecules where an -NH- group links two different heterocyclic moieties is reported. Yields range from moderate to excellent.

  报道了一种简便且通用的方法，用于合成含有 -NH- 基团连接两个不同杂环部分的分子。产率从中等到优良不等。
• COMPOSITION FOR ULTRAVIOLET ABSORBENT SUBSTANCE AND ULTRAVIOLET ABSORBENT SUBSTANCE COMPRISING SAME
  申请人：Masuhara Yusaku

  公开号：US20120313058A1

  公开（公告）日：2012-12-13

  A composition for an ultraviolet absorbent substance which comprises at least one metal complex represented by formula (1) and at least one matrix material and/or polymerizable monomer as a precursor of a matrix material, and an ultraviolet absorbent substance comprising the composition: wherein Y 1 , Y 2 , Y 3 and Y 4 are each, independently of one another, NH, NR 5 , an oxygen atom or a sulfur atom, and R 5 of NR 5 assigned to Y 1 , Y 2 , Y 3 or Y 4 is an alkyl group having 1 to 8 carbon atoms or an aryl group having 6 to 15 carbon atoms, which may have substituent(s). Each of R 1 , R 2 , R 3 and R 4 is absent or, if present, one to four of 4 hydrogen atoms bound to 4 carbon atoms other than 2 carbon atoms shared with a five-membered ring among 6 carbon atoms of one benzene ring can be substituted, and all of substituents substituting for hydrogen atom(s) of the four benzene rings are each, independently of one another, an alkyl group having 1 to 8 carbon atoms, which may have substituent(s), a hydroxyl group, a carboxyl group, an alkoxy group having 1 to 4 carbon atoms, a halogeno group, an alkylaminosulfonyl group having 1 to 8 carbon atoms, which may have substituent(s), a morpholinosulfonyl group which may have substituent(s), and the like, and M represents a metal atom.

  一种紫外线吸收物质的组合物，包括至少一种由式（1）表示的金属配合物和至少一种基质材料和/或可聚合单体作为基质材料的前体，以及包含该组合物的紫外线吸收物质：其中，Y1、Y2、Y3和Y4各自独立地为NH、NR5、氧原子或硫原子，且分配给Y1、Y2、Y3或Y4的NR5的R5是具有1至8个碳原子的烷基或具有6至15个碳原子的芳基，其可以具有取代基。R1、R2、R3和R4中的每一个都不存在或者如果存在，则可以替换6个碳原子中与五元环共享的2个碳原子以外的4个碳原子上的4个氢原子中的1至4个，而替换四个苯环的氢原子的所有取代基都是独立的，其中每个都是具有1至8个碳原子的烷基，其可以具有取代基，羟基，羧基，具有1至4个碳原子的烷氧基，卤素基，具有1至8个碳原子的烷基氨基磺酰基，其可以具有取代基，可以具有取代基的吗啡环磺酰基等，M代表金属原子。
• Composition for ultraviolet absorbent substance and ultraviolet absorbent substance comprising same
  申请人：Masuhara Yusaku

  公开号：US08540904B2

  公开（公告）日：2013-09-24

  An ultraviolet absorbent substance includes a metal complex and a matrix, formed with at least one matrix material and/or polymerizable monomer as a precursor of a matrix material and containing said metal complex therein. One exemplary function of the ultraviolet absorbent substance is allowing visible light rays transmitted through satisfactorily while selectively blocking ultraviolet rays.

  一种紫外线吸收物质包括金属配合物和基质，由至少一种基质材料和/或可聚合单体形成的前体材料组成，并含有所述金属配合物。该紫外线吸收物质的一个示例功能是在满足透过可见光线的同时有选择性地阻挡紫外线。
• METHACRYLIC RESIN OR METHACRYLIC RESIN COMPOSITION
  申请人：Kuraray Co., Ltd.

  公开号：EP3162818A1

  公开（公告）日：2017-05-03

  A methacrylic resin composition comprises not less than 90% by mass and not more than 100% by mass of a methacrylic resin [A] having: the total content of a structural unit derived from methyl methacrylate of not less than 90% by mass; a molecular weight MA of not less than 30000 and not more than 100000 in terms of polystyrene corresponding to the retention time indicating the value of the maximum strength in a chromatogram obtained by gel permeation chromatography; the area SgA of a region enclosed by an approximate curve obtained by fitting the data of a range indicating the strength of not less than 70% relative to the value of the maximum strength to a Gaussian function by the method of nonlinear least squares and the base line of the chromatogram of 45 to 80% of the area SA enclosed by the chromatogram and its base line; and the ratio MwgA/MngA of a weight average molecular weight MwgA to a number average molecular weight MngA of not less than 1.01 and not more than 1.20 in terms of polystyrene computed based on an approximate curve obtained by the above fitting.

  一种甲基丙烯酸树脂组合物由质量分数不小于 90%但不大于 100%的甲基丙烯酸树脂[A]组成，该甲基丙烯酸树脂[A]具有以下特性由甲基丙烯酸甲酯衍生的结构单元的总含量不少于 90%（以质量计）； 以聚苯乙烯计，分子量 MA 不小于 30000 但不大于 100000，与凝胶渗透色谱法所获色谱图中表示最大强度值的保留时间相对应；用非线性最小二乘法将相对于最大强度值不小于 70% 的强度范围的数据与高斯函数拟合后得到的近似曲线所包围区域的面积 SgA，该面积为色谱图及其基线所包围区域 SA 的 45% 至 80%；以及 重量平均分子量 MwgA 与数量平均分子量 MngA 之比 MwgA/MngA 不小于 1.以聚苯乙烯计，其比率 MwgA/MngA 不小于 1.01 但不大于 1.20，该比率是根据上述拟合得到的近似曲线计算得出的。
• METHACRYLIC RESIN COMPOSITION
  申请人：Kuraray Co., Ltd.

  公开号：EP3284784A1

  公开（公告）日：2018-02-21

  A methacrylic resin composition comprising 75 to 99.8% by mass of a methacrylic resin [A] ; 0.1 to 15% by mass of an ultraviolet absorber [B]; and 0.1 to 10% by mass of a compound [C] being a block copolymer or a graft copolymer, the block copolymer or the graft copolymer having a weight average molecular weight of 32 thousand to 300 thousand, a shaped product comprising the methacrylic resin composition, and a method for producing film, comprising shaping the methacrylic resin composition into a film by melt extrusion method using a pinning.

  一种甲基丙烯酸树脂组合物，包括 75 至 99.8%（质量百分比）的甲基丙烯酸树脂[A]； 0.1 至 15%（质量百分比）的紫外线吸收剂[B]；以及 0.1%至10%（质量百分比）的化合物[C]，该化合物为嵌段共聚物或接枝共聚物，嵌段共聚物或接枝共聚物的重量平均分子量为3.2万至30万；一种由该甲基丙烯酸树脂组合物组成的定型产品；以及一种生产薄膜的方法，该方法包括利用针刺法通过熔融挤出法将该甲基丙烯酸树脂组合物定型为薄膜。