4-(4-methylimino)bisphenol | 1075742-45-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(4-methylimino)bisphenol
• 英文别名: 4,4'-methylaminobisphenol；4,4'-(Methylazanediyl)diphenol；4-(4-hydroxy-N-methylanilino)phenol
• CAS: 1075742-45-8
• 化学式: C₁₃H₁₃NO₂
• 分子量: 215.252
• InChiKey: JONQFYJSLCHKJR-UHFFFAOYSA-N

物化性质

• 沸点：
  434.4±30.0 °C(Predicted)
• 密度：
  1.259±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,4’-二甲氧基-N-甲基二苯胺 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 4-(4-methylimino)bisphenol
  参考文献：
  名称：

  Promising core structure for nuclear receptor ligands: Design and synthesis of novel estrogen receptor ligands based on diphenylamine skeleton

  摘要：

  Novel diphenylamine-type estrogen receptor ligands were designed and synthesized, and their biological activities were evaluated by means of binding assays for estrogen receptor-alpha and -beta and cell proliferation assay using MCF-7 cells. Compounds 4f, 11b, 12c, and 8 showed moderate estrogenic activities. We propose that the diphenylamine skeleton may be a privileged structure for various nuclear receptor ligands, including RAR, RXR, and AR ligands. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.004

文献信息

• Polybenzyls from Gastrodia elata, their agonistic effects on melatonin receptors and structure-activity relationships
  作者：Si-Yue Chen、Chang-An Geng、Yun-Bao Ma、Xiao-Yan Huang、Xiao-Tong Yang、Li-Hua Su、Xiao-Feng He、Tian-Ze Li、Zhen-Tao Deng、Zhen Gao、Xue-Mei Zhang、Ji-Jun Chen

  DOI：10.1016/j.bmc.2019.06.008

  日期：2019.8

  (1-9), including six new ones (2-5, 7 and 9), were isolated from the EtOAc extract of G. elata. Five compounds 1, 3, 4, 6 and 8 were found to activate melatonin receptors. Especially, compound 1 showed agonistic effects on MT1 and MT2 receptors with EC50 values of 237 and 244 μM. For better understanding their structure-activity relationships (SARs), ten polybenzyl analogs were further synthesized and

  天麻是一种著名的中草药，具有药用和食用价值。在这项研究中，从G. elata的EtOAc提取物中分离出九种多苄基（1-9），包括六个新的（2-5、7和9）。发现五个化合物1、3、4、6和8可以激活褪黑激素受体。尤其是，化合物1对MT1和MT2受体表现出激动作用，EC50值为237和244μM。为了更好地理解它们的结构-活性关系（SAR），进一步合成了十种聚苄基类似物，并测定了它们对褪黑激素受体的活性。SAR的初步研究表明，两个对羟基基团是维持活性的关键药效​​团。分子对接模拟证明，化合物1通过与Phe 118，Gly 121，His 208，
• 多聚苄衍生物及其药物组合物与其制备方法 和其应用
  申请人：中国科学院昆明植物研究所

  公开号：CN109809971B

  公开（公告）日：2021-12-10

  本发明提供结构式(I)所示的多聚苄衍生物(1‑12)或其药物组合物，其制备方法，其在制备褪黑素受体激动剂中的应用，以及其在制备治疗或预防与褪黑素受体相关的中枢神经系统疾病的药物中的应用。
• Photosensitive lithographic printing plate
  申请人：——

  公开号：US20020136987A1

  公开（公告）日：2002-09-26

  A photosensitive lithographic printing plate comprising: a support; and a photosensitive layer, wherein the photosensitive layer comprises: a polyurethane resin binder comprising an aliphatic cyclic structure which has a carboxyl group as a substituent directly or indirectly attached to the structure; or a polyvinyl alcohol resin binder modified with an acetal skeleton comprising an aliphatic cyclic structure.

  一种光敏石版印刷版，包括：支撑体；以及光敏层，其中光敏层包括：聚氨酯树脂粘合剂，其包含有一个脂环结构，该脂环结构具有直接或间接连接到结构上的羧基取代基；或者是改性的聚乙烯醇树脂粘合剂，其具有一个脂环结构的缩醛骨架。
• POLYMERIZABLE COMPOSITION AND LITHOGRAPHIC PRINTING PLATE PRECURSOR
  申请人：Sugasaki Atsushi

  公开号：US20090053653A1

  公开（公告）日：2009-02-26

  A polymerizable composition comprising: a polyurethane resin synthesized by using a compound represented by the following formula (I) as one of starting materials; a photopolymerization or thermal polymerization initiator; and an addition-polymerizable compound having an ethylenically unsaturated bond: wherein X represents a tri- or higher valent atom; R 1 and R 2 each independently represent a single bond or an alkylene group optionally having a substituent, provided that R 1 and R 2 do not represent a single bond at a same time; A represents a straight chain linking group; and n is an integer of from 1 to 5.

  一种可聚合的组合物，包括：由使用以下式(I)所表示的化合物之一作为起始材料合成的聚氨酯树脂；光聚合或热聚合引发剂；以及具有乙烯基不饱和键的加成聚合化合物：其中，X代表三价或更高价原子；R1和R2各自独立地表示单键或具有取代基的烷基基团，但R1和R2不能同时表示单键；A表示直链连接基团；n为1到5的整数。
• PHOTOSENSITIVE COMPOSITION, PLANOGRAPHIC PRINTING PLATE PRECURSOR, POLYURETHANE, AND METHOD FOR PRODUCING POLYURETHANE
  申请人：FUJIFILM CORPORATION

  公开号：US20140134540A1

  公开（公告）日：2014-05-15

  A photosensitive composition includes (A) a polyurethane obtained by reacting a diol component including a compound represented by the following Formula (I) with a polyisocyanate component; and (B) a photosensitive component. In Formula (I), A represents a single bond, or a divalent linking group including an atom selected from the group consisting of a carbon atom, a hydrogen atom, and an oxygen atoms; B represents a monovalent organic group; each of R 1 to R 5 independently represents a hydrogen atom or an alkyl group; m represents an integer from 0 to 3; n represents an integer from 0 to 3; and m+n is not zero.

  一种光敏组合物，包括(A)聚氨酯和(B)光敏组分。聚氨酯是通过将包括以下式(I)的化合物的二元醇组分与多异氰酸酯组分反应而获得的。在式(I)中，A表示单键，或者包括从群组中选择的原子的双价连接基团，该群组包括碳原子，氢原子和氧原子；B表示单价有机基团；R1到R5中的每一个独立地表示氢原子或烷基；m表示从0到3的整数；n表示从0到3的整数；且m+n不为零。