4,4′-(1-methylethylidene)bis[2-nitrophenol] | 5329-21-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,4′-(1-methylethylidene)bis[2-nitrophenol]
• 英文别名: 4,4'-(propane-2,2-diyl)bis(2-nitrophenol)；2,2-bis(3-nitro-4-hydroxyphenyl) propane；3,3′-dinitro bisphenol A；2,2'-dinitrobisphenol A；3,3'-dinitrobisphenol A；2,2'-dinitro-4,4'-isopropylidene-di-phenol；2,2-Bis(4-hydroxy-3-nitrophenyl)propane；4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]-2-nitrophenol
• CAS: 5329-21-5
• 化学式: C₁₅H₁₄N₂O₆
• 分子量: 318.286
• InChiKey: LISYARSNTHASDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2908999090

反应信息

• 作为反应物：
  描述：

  4,4′-(1-methylethylidene)bis[2-nitrophenol] 在 盐酸 、 tin 、 sodium acetate 作用下， 生成 2,2'-bis-acetylamino-4,4'-isopropylidene-di-phenol
  参考文献：
  名称：

  Szeky, Chemisches Zentralblatt, 1904, vol. 75, # II, p. 1737

  摘要：

  DOI：
• 作为产物：
  描述：

  双酚A 在 硝酸 、 溶剂黄146 作用下， 以 水 、 丙酮 为溶剂， 以83 %的产率得到4,4′-(1-methylethylidene)bis[2-nitrophenol]
  参考文献：
  名称：

  2,2'-二氨基-4,4'-(丙烷-2,2'-二基)联苯酚的合成、光谱性质、晶体结构和DFT研究

  摘要：

  通过双酚A的硝化和还原合成了双酚A衍生物2,2'-二氨基-4,4'-(丙烷-2,2-二基)-联苯酚( 3 )。通过元素分析、典型光谱技术，即FT-IR、 1 H-NMR和13 C-NMR对标题化合物进行表征。还通过单晶X射线衍射法确定了该化合物的结构。该化合物在正交晶系中结晶，空间群为P bcn，a = 15.51106(18) Å，b = 11.6910 (10) Å，c = 7.6473 (7) Å。可以看出，在标题化合物的晶体结构中，-OH基团的氢原子与NH 2 基团处于反位。此外，在二聚晶格中观察到-NH 2基团的氢形成分子内氢键，而-OH基团的氢形成分子间氢键。通过DFT方法优化了化合物的几何结构，并将结果与​​X射线衍射数据进行了比较。使用B3LYP/6-31G(d)方法计算标题化合物的前沿分子轨道。还进行了 MEP 分析和 Mulliken 电荷密度、全局反应性和热力学性质。

  DOI：

  10.1007/s10870-023-00990-4

文献信息

• Optically active compound and photosensitive resin composition
  申请人：——

  公开号：US20030211421A1

  公开（公告）日：2003-11-13

  A photoactive compound is used in combination with a photosensitizer, represented by the following formula (1): A −[( J ) m −( X-Pro )] n (1) wherein A represents a hydrophobic unit comprising at least one kind of hydrophobic groups selected from a hydrocarbon group and a heterocyclic group, J represents a connecting group, X-Pro represents a hydrophilic group protected by a protective group Pro which is removable by light exposure, m represents 0 or 1, and n represents an integer of not less than 1. The protective group Pro may be removable by light exposure in association with the photosensitizer (especially, a photo acid generator), or may be a hydrophobic protective group. The hydrophilic group may be a hydroxyl group or a carboxyl group. The photoactive compound has high sensitivity to a light source of short wavelength beams, for resist application, therefore, the photoactive compound is advantageously used for forming a pattern with high resolution.

  一种光活性化合物与光敏剂结合使用，由以下公式（1）表示： A −[( J ) m −( X-Pro )] n (1) 其中，A代表至少包括一种从烃基和杂环基中选择的疏水基的疏水单元，J代表连接基团，X-Pro代表由光照可去除的保护基团Pro保护的亲水基团，m代表0或1，n代表不少于1的整数。 保护基团Pro可以与光敏剂（特别是光酸发生剂）一起通过光照可去除，也可以是疏水保护基团。亲水基团可以是羟基或羧基。光活性化合物对短波长光源具有很高的敏感性，用于光刻应用，因此，该光活性化合物有利于形成具有高分辨率的图案。
• MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME
  申请人：TABATA Masayoshi

  公开号：US20110224343A1

  公开（公告）日：2011-09-15

  The present invention provides a modifier for aromatic polyesters which enhances the melt fluidity of aromatic polyesters without a significant decrease in the heat resistance of the aromatic polyesters, and an aromatic polyester resin composition including the modifier for aromatic polyesters. The present invention relates to a modifier for aromatic polyesters comprising polyhydric phenol residues and residues of aromatic polycarboxylic acid, acid halide or acid anhydride thereof, and the modifier comprises a material having a structure composed of a first residue selected from the group consisting of divalent residues represented by Formula (I): —Ar—W 1 x —Ar— and by Formula (II): —Ar—, the first residues being bonded to two identical or different second residues selected from the group consisting of monovalent residues represented by Formula (III): and monovalent residues represented by Formula (IV): —O—C(O)—R 7 —.

  本发明提供了一种用于芳香族聚酯的改性剂，可以增强芳香族聚酯的熔融流动性，而不明显降低芳香族聚酯的耐热性，以及包括该改性剂的芳香族聚酯树脂组合物。本发明涉及一种用于芳香族聚酯的改性剂，包括多羟基酚残基和芳香族多羧酸、酸卤或其酸酐残基，该改性剂包括具有以下结构的材料：第一残基，选择自由式(I)所代表的二价残基：—Ar—W1x—Ar—和自由式(II)所代表的：—Ar—，第一残基与选择自由式(III)所代表的单价残基：和自由式(IV)所代表的单价残基：—O—C(O)—R7—的两个相同或不同的第二残基结合。
• Thermally rearranged polybenzoxazoles made from poly(ortho-hydroxyamide)s. Characterization and evaluation as gas separation membranes
  作者：Blanca Díez、Purificación Cuadrado、Ángel Marcos-Fernández、José G. de la Campa、Alberto Tena、Pedro Prádanos、Laura Palacio、Young Moo Lee、Cristina Alvarez、Ángel E. Lozano、Antonio Hernández

  DOI：10.1016/j.reactfunctpolym.2018.03.013

  日期：2018.6

  membranes of HPAs were able to undergo a thermal rearrangement (TR) process to polybenzoxazoles (β-TR-PBOs) heating at moderate temperatures (between 250 and 375 °C), and their complete conversion was reached at a temperature below 375 °C, depending on the o-hydroxy diamine moiety, APA and APAF. The β-TR-PBOs films derived from APAF showed a higher thermal stability and higher Tg than those from APA

  摘要由两种二胺2,2-双（3-氨基-4-羟基苯基）丙烷（APA）和2,4-二（3-氨基-4-羟基苯基）六氟丙烷（APAF），带有四个芳香族二酰氯；对苯二甲酰二氯（TPC），间苯二甲酰二氯（IPC），2,2-双[4-氯羰基苯基）六氟丙烷（6FC）和4,4'-磺酰基二苯甲酰二氯（DBSC）。获得了具有高分子量（固有粘度高于0.5 dL / g）和相对较高的玻璃化转变温度（220-280°C）的非晶态HPA。HPA的致密膜能够经过热重排（TR）过程转变为在中等温度（250至375°C之间）加热的聚苯并恶唑（β-TR-PBOs），并且在低于375°C的温度下可以完全转化，取决于邻羟基二胺部分，APA和APAF。APAF衍生的β-TR-PBOs薄膜比APA薄膜具有更高的热稳定性和更高的Tg。TR-PBOs膜的气体分离性能优于其聚（邻羟基酰胺）前体，特别是对于以下气体对：O2 / N2，CO2 / CH4，He
• METHODS FOR PRODUCING POLYCYCLIC AROMATIC AMINOPHENOL COMPOUND AND RESIN COMPOSITION, AND POLYCYCLIC AROMATIC AMINOPHENOL COMPOUND, RESIN COMPOSITION, AND CURED PRODUCT
  申请人：DIC Corporation

  公开号：US20190144372A1

  公开（公告）日：2019-05-16

  A task is to provide a method for producing a polycyclic aromatic aminophenol compound through a reduced number of steps at a low cost with high safety. The method for producing a polycyclic aromatic aminophenol compound includes the step of reacting a compound represented by the general formula (1) below and an aromatic amino compound with each other: Wherein n represents an integer of 1 to 8, Ar represents a benzene ring optionally having a substituent, or a naphthalene ring optionally having a substituent, each of R 1 and R 2 independently represents a hydrogen atom, a hydrocarbon group having 1 to 6 carbon atoms and optionally having a substituent, or an aromatic group optionally having a substituent, and R 3 represents a hydroxyl group, a methoxy group, or a halogen atom.

  一项任务是提供一种以较少步骤、低成本且高安全性生产多环芳香氨基酚化合物的方法。生产多环芳香氨基酚化合物的方法包括以下步骤：将由下述通式（1）表示的化合物与芳香胺化合物相互反应：其中n代表1到8之间的整数，Ar代表一个苯环，可选地具有取代基，或一个萘环，可选地具有取代基，R1和R2各自独立地代表氢原子，具有1到6个碳原子且可选地具有取代基的烃基，或可选地具有取代基的芳香基，R3代表羟基、甲氧基或卤素原子。
• Process for producting bis(4-hydroxy-3-nitrophenyl) compound
  申请人：——

  公开号：US20030055288A1

  公开（公告）日：2003-03-20

  The present invention relates to a process for producing a bis(4-hydroxy-3-nitrophenyl) compounds, characterized by nitrating a bis(4-hydroxyphenyl) compound wherein two phenyl groups are bonded to each other directly or through an electron-donating bridging group, sulfoxide group, sulfone group or carbonyl group in an inert solvent using nitric acid under the condition of substantially free from any other acid. According to the process, the target compounds reduced in the content of trinitrates can be produced in high yield and further recrystallizing the compound easily gives in high yield a high-purity products suitable for use as a raw material of producing a heat-resistant polymer and so on because the content of a trinitro-substitued compound in that compound is low.

  本发明涉及一种制备双(4-羟基-3-硝基苯基)化合物的方法，其特征在于，在惰性溶剂中使用硝酸，在基本无其他酸的条件下，对双(4-羟基苯基)化合物进行硝化，其中两个苯基直接或通过电子给予的桥接基团、亚砜基团、磺酰基团或羰基团相互键合。根据该方法，可以高产地生产目标化合物，其三硝基酸盐含量降低，进一步易于重结晶，可以高产地得到高纯度产品，适用于作为生产耐高温聚合物等原材料，因为该化合物中三硝基取代化合物的含量较低。