3’,4-二氨基苯酰替苯胺 | 2657-85-4

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3’,4-二氨基苯酰替苯胺
• 中文别名: 4-氨基-N-(3-氨基苯基)-苯甲酰胺；3',4-二氨基苯酰替苯胺；3`,4-二氨基苯酰替苯胺；3,4'-DABA；3,4'-二氨基苯酰替苯胺
• 英文名称: 3,4'-Diaminobenzanilid
• 英文别名: 4-Amino-N-(3-aminophenyl)benzamide
• CAS: 2657-85-4
• 化学式: C₁₃H₁₃N₃O
• mdl: MFCD00447046
• 分子量: 227.266
• InChiKey: HWKHQQCBFMYAJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  81.1
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  3’,4-二氨基苯酰替苯胺 在 sodium azide 、 sodium nitrite 作用下， 生成 4-Azido-N-(3-azido-phenyl)-benzamide
  参考文献：
  名称：

  Isomeric N-(Nitrenophenyl)nitrenobenzamides. Comparison of the Energy Differences between Their Singlet and Quintet States Obtained Computationally and Experimentally

  摘要：

  The sign and magnitude of the intramolecular magnetic coupling between the two triplet nitrene units through the benzanilide chromophore have beep studied by temperature dependence of their EPR fine structures; The results that the interactions are ferromagnetic in the m,p' and m',p isomers and antiferromagnetic in the p,p' and m,m' isomers were corroborated by semiempirical CI calculations.

  DOI：

  10.1021/jo00087a007
• 作为产物：
  描述：

  3',4-二硝基苯甲酰苯胺 在 palladium on activated charcoal 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 16.0h， 生成 3’,4-二氨基苯酰替苯胺
  参考文献：
  名称：

  小分子二元酯，酰胺和氨基甲酸酯类作为黄病毒蛋白酶抑制剂的合成及其构效关系

  摘要：

  在登革热和西尼罗河病毒的复制中至关重要的黄病毒丝氨酸蛋白酶抑制剂在过去几年中引起了广泛关注。先前已经报道了二元4-胍基苯甲酸酯作为登革蛋白酶的抑制剂，其效力在低微摩尔范围内。在本研究中，对这种先导结构进行了修饰，目的是探索结构与活性之间的关系并获得具有增加的药物相似性的化合物。评价了胍基部分，芳环和具有其他官能团的酯的取代。所有变化都伴随着抑制作用的丧失，表明4-胍基苯甲酸酯支架是该化合物类别的必要元素。

  DOI：

  10.1016/j.ejmech.2019.05.025

文献信息

• Compound having silsesquioxane skeleton and its polymer
  申请人：Inagaki Jyun-ichi

  公开号：US20050009982A1

  公开（公告）日：2005-01-13

  The present invention relates to a compound represented by Formula (1) and a polymer obtained using the compound: wherein R 1 is phenyl which may have substituents, Q 1 is hydrogen, halogen, alkyl having 1 to 10 carbon atoms, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, cyclohexenyl or phenyl in which optional hydrogen may be replaced by halogen or alkyl having 1 to 5 carbon atoms, and Q 2 is a group represented by Formula (2) wherein the code < represents a bonding point with silicon, l, m, n and p are independently 0, 1, 2 or 3, A 1 to A 4 are independently a single bond, 1,4-cyclohexylene, 1,4-cyclohexenylene, a condensed ring group having 6 to 10 carbon atoms which is a divalent group, or 1,4-phenylene, Z 0 to Z 3 are independently a single bond, —CH═CR—, —C≡C—, —COO—, —OCO—, or alkylene having 1 to 20 carbon atoms, and Z 4 is a single bond, —CH═CH—, —C≡C—, —COO—, —OCO—, or alkylene having 1 to 20 carbon atoms. And Y 1 in Formula (1) is the group defined in Claim 1.

  本发明涉及一种由式（1）表示的化合物和使用该化合物获得的聚合物：其中R1是苯基，可能具有取代基；Q1是氢、卤素、具有1至10个碳原子的烷基、环丙基、环丁基、环戊基、环己基、环己烯基或苯基，其中可选的氢原子可被卤素或具有1至5个碳原子的烷基取代；Q2是由式（2）表示的基团，其中代码<表示与硅的连接点，l、m、n和p独立地为0、1、2或3，A1至A4独立地为单键、1,4-环己亚基、1,4-环己烯亚基、具有6至10个碳原子的缩合环基团，为二价基团，或1,4-苯亚基，Z0至Z3独立地为单键、—CH═CR—、—C≡C—、—COO—、—OCO—或具有1至20个碳原子的烷基，Z4为单键、—CH═CH—、—C≡C—、—COO—、—OCO—或具有1至20个碳原子的烷基。式（1）中的Y1是权利要求1中定义的基团。
• Verification of translation
  申请人：Inagaki Jyun-ichi

  公开号：US20070190344A1

  公开（公告）日：2007-08-16

  A compound represented by Formula (1) and a polymer obtained using the compound: wherein R 1 is phenyl which may have substituents, Q 1 is hydrogen, halogen, alkyl having 1 to 10 carbon atoms, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, cyclohexenyl or phenyl in which optional hydrogen may be replaced by halogen or alkyl having 1 to 5 carbon atoms, Q 2 is a group represented by Formula (2): wherein the code < represents a bonding point with silicon, l, m, n and p are independently 0, 1, 2 or 3, and A 1 to A 4 , Z 0 to Z 4 and Y 1 are defined in the specification.

  公式（1）所表示的化合物和使用该化合物制得的聚合物：其中R1是苯基，可以有取代基；Q1是氢、卤素、具有1至10个碳原子的烷基、环丙基、环丁基、环戊基、环己烯基或苯基，其中可选氢原子可以被卤素或具有1至5个碳原子的烷基所取代；Q2是由公式（2）表示的基团：其中代码<表示与硅的连接点，l、m、n和p独立地为0、1、2或3，A1至A4、Z0至Z4和Y1在规范中有定义。
• COMPOUND HAVING SILSESQUIOXANE SKELETON AND ITS POLYMER
  申请人：INAGAKI Jyun-ichi

  公开号：US20120178894A1

  公开（公告）日：2012-07-12

  The present invention relates to a compound represented by Formula (1) and a polymer obtained using the compound: wherein R 1 is phenyl which may have substituents, Q 1 is hydrogen, halogen, alkyl having 1 to 10 carbon atoms, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, cyclohexenyl or phenyl in which optional hydrogen may be replaced by halogen or alkyl having 1 to 5 carbon atoms, <—Z 0 A 1 -Z 1  l A 2 -Z 2  m A 3 -Z 3  n A 4  p -Z 4 —  (2) and Q 2 is a group represented by Formula (2): wherein the code < represents a bonding point with silicon, l, m, n and p are independently 0, 1, 2 or 3, A 1 to A 4 are independently a single bond, 1,4-cyclohexylene, 1,4-cyclohexenylene, a condensed ring group having 6 to 10 carbon atoms which is a divalent group, or 1,4-phenylene, Z 0 to Z 3 are independently a single bond, CH═CH—, —C≡C—, —COO—, —OCO—, or alkylene having 1 to 20 carbon atoms, and Z 4 is a single bond, —CH═CH—, —C≡C—, —COO—, —OCO—, or alkylene having 1 to 20 carbon atoms. And Y 1 in Formula (1) is the group defined in claim 1.

  本发明涉及一种由公式（1）表示的化合物以及使用该化合物获得的聚合物：其中R1是苯基，可以具有取代基，Q1是氢、卤素、1至10个碳原子的烷基、环丙基、环丁基、环戊基、环己烯基或苯基，其中可选的氢原子可以被卤素或1至5个碳原子的烷基所取代，<—Z0A1-Z1lA2-Z2mA3-Z3nA4p-Z4—（2）和Q2是由公式（2）表示的基团：其中代码<表示与硅的连接点，l、m、n和p独立地为0、1、2或3，A1至A4独立地为单键、1,4-环己基、1,4-环己烯基、具有6至10个碳原子的紧凑环基团，或1,4-苯基，Z0至Z3独立地为单键、CH═CH—、—C≡C—、—COO—、—OCO—或具有1至20个碳原子的烷基，Z4为单键、—CH═CH—、—C≡C—、—COO—、—OCO—或具有1至20个碳原子的烷基。公式（1）中的Y1是权利要求1中定义的基团。
• POLYIMIDE PRECURSOR, POLYIMIDE, AND MATERIALS TO BE USED IN PRODUCING SAME
  申请人：Takasawa Ryoichi

  公开号：US20130178597A1

  公开（公告）日：2013-07-11

  Disclosed is a novel co-polyimide precursor for producing a polyimide having high transparency. The co-polyimide precursor comprises a unit structure represented by general Formula (A1) and a unit structure represented by general Formula (A2): wherein, in general Formula (A1), R 1 represents a hydrogen atom or an alkyl group having 1 to 4 carbon atoms; and R 2 and R 3 each independently represent a hydrogen atom, an alkyl group having 1 to 6 carbon atoms, or an alkylsilyl group having 3 to 9 carbon atoms, wherein, in general Formula (A2), R 4 represents a hydrogen atom or an alkyl group having 1 to 4 carbon atoms; R 5 and R 6 each independently represent a hydrogen, an alkyl group having 1 to 6 carbon atoms, or an alkylsilyl group having 3 to 9 carbon atoms; and X represents a tetravalent group other than those represented by Formulae (A3):

  本发明涉及一种新型共聚酰亚胺前体，用于制备具有高透明度的聚酰亚胺。该共聚酰亚胺前体包括由通式（A1）表示的单元结构和由通式（A2）表示的单元结构：其中，在通式（A1）中，R1表示氢原子或具有1至4个碳原子的烷基基团；R2和R3各自独立地表示氢原子、具有1至6个碳原子的烷基基团或具有3至9个碳原子的烷基硅基团，在通式（A2）中，R4表示氢原子或具有1至4个碳原子的烷基基团；R5和R6各自独立地表示氢原子、具有1至6个碳原子的烷基基团或具有3至9个碳原子的烷基硅基团；X表示除通式（A3）所表示的四价基团以外的四价基团。
• Process for making photopolymerizable aromatic polyamic acid derivatives
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0203372A2

  公开（公告）日：1986-12-03

  A process for the synthesis of the photosensitive polyamic acid derivatives which are polyimide precursors, comprising the sequential steps: (1) Partially derivatizing an aromatic dianhydride with a reactive monomer containing a photosensitive moiety; (2) Condensation polymerizing the partially derivatized aromatic dianhydride with aromatic diamine to form polyamic acid; (3) Isoimidization of the polyamic acid; (4) Condensation of the polyisoimide to polyamic acid derivative by reaction with additional reactive monomer; and (5) Separation of the polyamic acid derivative.

  一种合成作为聚酰亚胺前体的光敏聚酰胺酸衍生物的工艺，包括以下连续步骤： (1) 用含有光敏分子的活性单体对芳香族二酐进行部分衍生； (2) 将部分衍生化的芳香族二酐与芳香族二胺进行缩合聚合，形成聚酰胺酸； (3) 将聚酰胺酸等亚胺化； (4) 通过与额外的活性单体反应，将聚异亚胺缩合为聚酰胺酸衍生物；以及 (5) 分离聚酰胺酸衍生物。