(1-Chloro-ethyl)-benzene; hydrochloride

• 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: (1-Chloro-ethyl)-benzene; hydrochloride
• 英文别名: 1-Chloroethylbenzene;hydrochloride；1-chloroethylbenzene;hydrochloride
• 化学式: C₈H₉Cl*ClH
• 分子量: 177.073
• InChiKey: GGQDSCIVVSAVOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.41
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (1-Chloro-ethyl)-benzene; hydrochloride 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 生成 2-(1-Phenyl-ethylsulfanyl)-N-pyridin-4-yl-nicotinamide
  参考文献：
  名称：

  烟酰胺衍生物是新型的胃（H + / K +）-ATPase抑制剂。三，2-[（（2-和4-氨基苄基，和α-甲基苄基）亚磺酰基] -N-（4-吡啶基）-3-吡啶甲酰胺的合成和胃抗分泌活性。

  摘要：

  新系列的2-[（（2-氨基苄基，4-氨基苄基和α-甲基苄基）亚磺酰基] -N-（4-吡啶基）-3-吡啶甲酰胺。合成并评估胃的抗分泌活性。合成的几种化合物对二丁酰基环AMP刺激的离体兔壁细胞刺激了对[14C]氨基比林累积的抑制作用，十二指肠内给药对幽门结扎的大鼠组胺诱导的胃酸分泌产生了抑制作用。特别是2-[（（4-甲氧基-α-甲基苄基）亚磺酰基] -N-（4-吡啶基）-3-吡啶甲酰胺（13b）的极性更大的非对映异构体在体内的抑制活性与奥美拉唑和是比奥美拉唑更具选择性的（H + / K +）-ATPase抑制剂。

  DOI：

  10.1248/cpb.45.1177

文献信息

• DIALKYLCARBOXYLATE-AROMATIC-FUNCTIONALIZED POLYMERS THAT DO NOT RELEASE ENDOCRINE DISRUPTING COMPOUNDS
  申请人：The Regents of the University of California

  公开号：US20180155464A1

  公开（公告）日：2018-06-07

  Disclosed are novel phthalate compounds and a simple and economical route to covalently attach a phthalate ester mimic to PVC is described, allowing plasticization of PVC without the danger of Endocrine Disruption Chemicals leaching from the polymer matrix. An azide-alkyne Huisgen cycloaddition (in the absences of copper catalyst) using dialkyl acetylenedicarboxylates allows this cycloaddition to occur under very mild thermal conditions.

  揭示了新型邻苯二甲酸酯化合物以及一种简单经济的方法，描述了如何以共价方式将邻苯二甲酸酯类似物附着到PVC上，从而实现PVC的增塑，而不会出现内分泌干扰化学物质从聚合物基质中渗出的危险。使用二烯基乙炔二羧酸酯，在没有铜催化剂的情况下进行偶联反应，使得这种环加成反应可以在非常温和的热条件下发生。
• Chiral solvating agents
  申请人：The Texas A&M University System

  公开号：US11008354B2

  公开（公告）日：2021-05-18

  In an embodiment, a composition including a chiral solvating agent to resolve nuclear magnetic resonance signals of an enantiomer of at least one analyte, where the chiral solvating agent facilitates in the at least one analyte binding to a C2 face or a C3 face of the chiral solvating agent, and where the chiral solvating agent causes an upfield shift or a downfield shift in at least one nuclear magnetic resonance signals corresponding to a 1H, 19F1H}, or 31P1H} signal, and where the chiral solvating agent includes a cobalt cation. In another embodiment, a method that includes mixing a chiral solvating agent, including a cobalt cation, with at least one analyte to form a solution, obtaining nuclear magnetic resonance spectra of the solution, and identifying an enantiomer of the at least one analyte. In some embodiments, the method further includes determining enantiomeric purities of the at least one analyte.

  在一个实施方案中，一种包括手性溶解剂的组合物，用于解析至少一种分析物的对映体的核磁共振信号，其中手性溶解剂促进至少一种分析物与手性溶解剂的C2面或C3面结合、其中手性溶解剂导致至少一个核磁共振信号对应于 1H、19F1H} 或 31P1H} 信号的上场移动或下场移动，并且其中手性溶解剂包括钴阳离子。在另一个实施方案中，一种方法包括将包括钴阳离子在内的手性溶解剂与至少一种分析物混合形成溶液，获得溶液的核磁共振谱，并鉴定至少一种分析物的对映体。在某些实施方案中，该方法还包括确定至少一种分析物的对映体纯度。
• POLYMER PLASTICIZING AGENTS THAT PRODUCE POLYMERS THAT DO NOT RELEASE ENDOCRINE DISRUPTING COMPOUNDS
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20150299343A1

  公开（公告）日：2015-10-22

  Disclosed are novel phthalate compounds and a simple and economical route to covalently attach a phthalate ester mimic to PVC is described, allowing plasticization of PVC without the danger of Endocrine Disruption Chemicals leaching from the polymer matrix. An azide-alkyne Husigen cycloaddition (in the absences of copper catalyst) using dialkyl acetylenedicarboxylates allows this cycloaddition to occur under very mild thermal conditions.
• [EN] POLYMER PLASTICIZING AGENTS THAT PRODUCE POLYMERS THAT DO NOT RELEASE ENDOCRINE DISRUPTING COMPOUNDS<br/>[FR] AGENTS PLASTIFIANTS POLYMÈRES PRODUISANT DES POLYMÈRES QUI NE LIBÈRENT PAS DE COMPOSÉS PERTURBATEURS ENDOCRINIENS
  申请人：UNIV CALIFORNIA

  公开号：WO2014071347A1

  公开（公告）日：2014-05-08

  Disclosed are novel phthalate compounds and a simple and economical route to covalently attach a phthalate ester mimic to PVC is described, allowing plasticization of PVC without the danger of Endocrine Disruption Chemicals leaching from the polymer matrix. An azide-alkyne Husigen cycloaddition (in the absences of copper catalyst) using dialkyl acetylenedicarboxylates allows this cycloaddition to occur under very mild thermal conditions.
• Nicotinamide Derivatives as a New Class of Gastric (H+/K+)-ATPase Inhibitors. III. Synthesis and Gastric Antisecretory Activity of 2-((2- and 4-Aminobenzyl, and .ALPHA.-methylbenzyl)sulfinyl)-N-(4-pyridinyl)-3-pyridinecarboxamides.
  作者：Hideo TERAUCHI、Akihiko TANITAME、Keiko TADA、Keiji NAKAMURA、Yasuhiro SETO、yoshinori NISHIKAWA

  DOI：10.1248/cpb.45.1177

  日期：——

  sulfinyl]-N-(4-pyridinyl)-3-pyridinecarboxamides. was synthesized and evaluated for gastric antisecretory activities. Several of the compounds synthesized exhibited potent inhibitory activities against [14C]aminopyrine accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells and histamine-induced gastric acid secretion in pylorus-ligated rats by intraduodenal administration. In particular

  新系列的2-[（（2-氨基苄基，4-氨基苄基和α-甲基苄基）亚磺酰基] -N-（4-吡啶基）-3-吡啶甲酰胺。合成并评估胃的抗分泌活性。合成的几种化合物对二丁酰基环AMP刺激的离体兔壁细胞刺激了对[14C]氨基比林累积的抑制作用，十二指肠内给药对幽门结扎的大鼠组胺诱导的胃酸分泌产生了抑制作用。特别是2-[（（4-甲氧基-α-甲基苄基）亚磺酰基] -N-（4-吡啶基）-3-吡啶甲酰胺（13b）的极性更大的非对映异构体在体内的抑制活性与奥美拉唑和是比奥美拉唑更具选择性的（H + / K +）-ATPase抑制剂。