3-(4-nitrophenyl)propyl chloride | 20264-93-1

• 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: 3-(4-nitrophenyl)propyl chloride
• 英文别名: 1-(3-chloro-propyl)-4-nitro-benzene；1-(3-Chlor-propyl)-4-nitro-benzol；1-Chlor-3-<4-nitro-phenyl>-propan；3-Chlor-1-<4-nitro-phenyl>-propan；3-(p-Nitrophenyl)propylchlorid；1-(3-chloropropyl)-4-nitrobenzene
• CAS: 20264-93-1
• 化学式: C₉H₁₀ClNO₂
• 分子量: 199.637
• InChiKey: OUHSWHKEFMTVBR-UHFFFAOYSA-N

物化性质

• 沸点：
  138 °C(Press: 0.25 Torr)
• 密度：
  1.232±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-nitrophenyl)propyl chloride 在 10percent Pd/C 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、275.8 kPa 条件下， 反应 24.17h， 生成 3-[4-(N,N-bis-β-hydroxyetylamino)phenyl]propyl chloride
  参考文献：
  名称：

  7-Substituted 5-Amino-2-(2-furyl)pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidines as A_2A Adenosine Receptor Antagonists:  A Study on the Importance of Modifications at the Side Chain on the Activity and Solubility

  摘要：

  It was demonstrated in the early 1990s that adenosine exerts many physiological functions through the interaction with four different receptors, named A(1), A(2A), A(2B), and A(3). In the past few years, our group has been involved in the development of A(2A) antagonists, which led to the synthesis of SCH 58261 (1), the first potent and selective adenosine A(2A) antagonist, which has been widely used as a reference compound. In this paper, we present an extended series of pyrazolotriazolopyrimidines synthesized with the aim to investigate the influence of the substitutions on the pyrazole ring. The choice of the substituents was based on their capability to improve water solubility while retaining high affinity and selectivity at the human A(2A) adenosine receptor subtype. In this series, some structural characteristics that are important for activity, i.e., tricyclic structure, free amino group at 5-position, furan ring, and substituent at 7-position on the pyrazole moiety, have been maintained. We focused our attention on the nature of the phenyl ring substituent to improve water solubility. Following this strategy, we developed new compounds with good affinity and selectivity for A(2A) adenosine receptors, such as 8d (K-i 0.12 nM; hA(1)/hA(2A) ratio = 1025; R-m = 2.8), 8h (K-i 0.22; hA(1)/hA(2A) ratio = 9818; R-m = 3.4), 8i (K-i 0.18 nM; hA(1)/hA(2A) ratio = 994; R-m = 2.8), 8k (K-i 0.13 nM; hA(1)/hA(2A) ratio = 4430; R-m = 3.6), and 14b (K-i 0.19 nM; hA(1)/hA(2A) ratio = 2273; R-m = 2.7). All the new synthesized compounds have no significant interaction with either-A(2B) or A(3) receptor subtypes. This new series of compounds deeply enlightens some structural requirements to display high affinity and selectivity for the A(2A) adenosine receptor subtype, although our goal of identifying new compounds with increased water solubility was not completely achieved. On this basis, other strategies will be devised to improve this class of compounds with a profile that appears to be promising for treatment of neurodegenerative disorders, such as Parkinson's disease.

  DOI：

  10.1021/jm010924c
• 作为产物：
  描述：

  1-氯-3-苯基丙烷 在 硝酸 作用下， 生成 3-(4-nitrophenyl)propyl chloride
  参考文献：
  名称：

  v. Braun; Deutsch, Chemische Berichte, 1912, vol. 45, p. 2511

  摘要：

  DOI：

文献信息

• Insecticidal Benzenedicarboxamide Derivative
  申请人：Wada Katsuaki

  公开号：US20110184188A1

  公开（公告）日：2011-07-28

  The present invention relates to a novel benzenedicarboxamide derivative and the use thereof as an insecticide having the formula (I) wherein the chemical groups W 1 to W 9 , and R 1 to R 3 are as defined here-in.

  本发明涉及一种新型苯二甲酰胺衍生物及其作为杀虫剂的用途，其化学式为(I)，其中化学基团W1至W9，以及R1至R3如本文所定义。
• BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS
  申请人：BAKER WILLIAM R.

  公开号：US20110275623A1

  公开（公告）日：2011-11-10

  This invention provides compounds of the formula: wherein X is wherein R 1 and R 2 together with the phenyl to which they are bound may form a bicyclic, fused heterocyclic ring and all other variables are as defined herein, their use in pulmonary inflammation or bronchoconstriction therapy and compositions comprising and processes for preparing the same are provided.

  这项发明提供了以下式的化合物： 其中X是 其中R 1 和R 2 与它们结合的苯基一起可以形成一个双环融合的杂环环，所有其他变量如本文所定义，提供它们在肺部炎症或支气管痉挛治疗中的用途，以及包含它们的组合物和制备它们的方法。
• NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE
  申请人：NISSAN CHEMICAL INDUSTRIES. LTD.

  公开号：US20160264520A1

  公开（公告）日：2016-09-15

  To provide a novel diamine, and a polyimide precursor and a polyimide using it. A diamine represented by the formula (1): wherein each of X 1 and X 5 which are independent of each other, is a single bond or the like; each of X 2 and X 4 which are independent of each other, is —CH 2 — or the like; X 3 is a C 1-6 alkylene or the like; each of Y 1 and Y 2 which are independent of each other, is a single bond or the like; R is a C 1-20 linear, branched or cyclic hydrocarbon group; and a is 0 or 1).

  提供一种新颖的二胺，以及使用它的聚酰亚胺前体和聚酰亚胺。一种由式（1）表示的二胺：其中X1和X5中的每一个独立的，是单键或类似物；X2和X4中的每一个独立的，是—CH2—或类似物；X3是C1-6烷基或类似物；Y1和Y2中的每一个独立的，是单键或类似物；R是C1-20线性、支链或环烃基；a为0或1。
• BI-FUNCTIONAL QUINOLINE ANALOGS
  申请人：Baker William R.

  公开号：US20110275622A1

  公开（公告）日：2011-11-10

  Provided are compounds of Formula I: wherein X is: R 1 and R 2 together with the phenyl to which they are bound may form a bicyclic, fused heterocyclic ring, and all other variables are as defined herein, as well as their use in treating pulmonary inflammation or bronchoconstriction and compositions comprising and processes for preparing the same.

  提供的是以下化合物的结构式：其中X是：R1和R2，与它们结合的苯基一起可以形成一个螺环的、融合的杂环环，所有其他变量如本文所定义，以及它们在治疗肺部炎症或支气管痉挛中的应用，以及包含它们的组合物和制备这些化合物的方法。
• Linker arms for nanocrystals and compounds thereof
  申请人：Rosenthal J. Sandra

  公开号：US20050192430A1

  公开（公告）日：2005-09-01

  A nanocrystal compound comprising: a nanocrystal, and attached thereto a compound of the following formula: n is 0 or an integer from 1 to 48; X and Z are independently O, NH, N—R, S, CH 2 , CO, COHN, NHCO, SO, SO 2 NH, NHSO 2 , carbamate and thio carbamate; R is alkyl or aryl; r is 0 or an integer from 1 to 15; and wherein S is the attachment point to a nanocrystal compound. The nanocrystal compounds of the present invention are useful fluorescent labels.

  一种纳米晶体化合物，包括：纳米晶体，以及连接到其中的以下式子的化合物：n为0或1到48的整数；X和Z分别是O、NH、N—R、S、CH2、CO、COHN、NHCO、SO、SO2NH、NHSO2、carbamate和thio carbamate；R是烷基或芳基；r为0或1到15的整数；其中S是连接到纳米晶体化合物的连接点。本发明的纳米晶体化合物是有用的荧光标记物。