2-propoxybenzyl chloride | 90875-80-2

• 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: 2-propoxybenzyl chloride
• 英文别名: (α-Chlor-o-tolyl)-propylether；2-Propyloxybenzylchlorid；1-(Chloromethyl)-2-propoxybenzene
• CAS: 90875-80-2
• 化学式: C₁₀H₁₃ClO
• 分子量: 184.666
• InChiKey: CWRVBZVYRVMXHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  110-115 °C(Press: 8 Torr)
• 密度：
  1.060±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-propoxybenzyl chloride 以 二甲基亚砜 为溶剂， 以54%的产率得到2-propoxy benzylcyanide
  参考文献：
  名称：

  Alpha-(2-alkoxyphenyl)-alpha-alkyl-1H-1,2,4-triazole-1-propanenitriles

  摘要：

  这项发明涉及α-(2-烷氧基苯基)-α-烷基-1H-1,2,4-三唑-1-丙腈及其衍生物，它们的对映体，酸盐和金属盐络合物。这些化合物，对映体，盐和络合物是高活性的广谱系统杀菌剂，对控制大麦谷物镰刀菌、黄瓜霜霉病、黄瓜白粉病、葡萄霜霉病、花生锈病、水稻稻瘟病、小麦白粉病和小麦锈病等植物病原真菌有效。这些化合物在叶面或全株施用时对水稻稻瘟病具有保护和治疗活性，并且通过叶面施用具有优越的残留活性对抗水稻稻瘟病。

  公开号：

  US04895865A1
• 作为产物：
  描述：

  1-methylphenol n-propyl ether 在 氯 作用下， 反应 2.0h， 以81%的产率得到2-propoxybenzyl chloride
  参考文献：
  名称：

  JP5647782

  摘要：

  公开号：

文献信息

• Alpha-(2-alkoxyphenyl)-alpha-alkyl-1H-1,2,4-triazole-1-propanenitriles
  申请人：Rohm and Haas Company

  公开号：US04895865A1

  公开（公告）日：1990-01-23

  This invention relates to alpha-(2-alkoxyphenyl)-alpha-alkyl-1H-1,2,4-triazole-1-propanenitriles and derivatives, their enantiomorphs, acid addition salts and metal salt complexes. These compounds, enantiomorphs, salts and complexes are highly active broad-spectrum systemic fungicides effective in controlling phytopathogenic fungi such as barley helminthosporium, cucumber downy mildew, cucumber powdery mildew, grape downy mildew, peanut cercospora, rice blast, wheat powdery mildew and wheat stem rust. The compounds have protective and curative activity against rice blast when they are applied foliarly or systemically and have superior residual activity against rice blast via foliar application.

  这项发明涉及α-(2-烷氧基苯基)-α-烷基-1H-1,2,4-三唑-1-丙腈及其衍生物，它们的对映体，酸盐和金属盐络合物。这些化合物，对映体，盐和络合物是高活性的广谱系统杀菌剂，对控制大麦谷物镰刀菌、黄瓜霜霉病、黄瓜白粉病、葡萄霜霉病、花生锈病、水稻稻瘟病、小麦白粉病和小麦锈病等植物病原真菌有效。这些化合物在叶面或全株施用时对水稻稻瘟病具有保护和治疗活性，并且通过叶面施用具有优越的残留活性对抗水稻稻瘟病。
• Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0637580A1

  公开（公告）日：1995-02-08

  A 1-bromoalkylbenzene derivative is prepared by reacting a phenylalkene derivative with hydrogen bromide in the presence of a non-polar solvent. The phenylalkene derivative is prepared by reacting an alkenyl halide with metal magnesium to form a Grignard reagent, and then reacting the Grignard reagent with a benzyl halide derivative. An allyl Grignard reagent is prepared by reacting continuously an allyl halide derivative with metal magnesium in an organic solvent, in which the allyl halide derivative and metal magnesium are continuously added to the reaction system and the allyl Grignard reagent formed is continuously removed from the reaction system. The processes provide the intended compounds in high yields, high selectivities and high purities.

  1-bromoalkylbenzene derivative is prepared by reacting a phenylalkene derivative with hydrogen bromide in the presence of a non-polar solvent.苯基烷烃衍生物的制备方法是先使烯基卤化物与金属镁反应生成格氏试剂，然后使格氏试剂与苄基卤化物衍生物反应。烯丙基格氏试剂是通过烯丙基卤化物衍生物与金属镁在有机溶剂中连续反应制备的，其中烯丙基卤化物衍生物和金属镁被连续加入反应体系，形成的烯丙基格氏试剂被连续从反应体系中移除。这些工艺可提供高产率、高选择性和高纯度的预期化合物。
• Design, synthesis and structure–affinity relationships of aryloxyanilide derivatives as novel peripheral benzodiazepine receptor ligands
  作者：Taketoshi Okubo、Ryoko Yoshikawa、Shigeyuki Chaki、Shigeru Okuyama、Atsuro Nakazato

  DOI：10.1016/j.bmc.2003.10.050

  日期：2004.1

  Since the peripheral benzodiazepine receptor (PBR) has been primarily found as a high-affinity binding site for diazepam in rat kidney, numerous studies of it have been performed. However, the physiological role and functions of PBR have not been fully elucidated. Currently, we presented the pharmacological profile of two high and selective PBR ligands, N-(2,5-dimethoxybenzyl)-N-(4-fluoro-2-phenoxyphenyl)acetamide (7-096, DAA1106) (PBR: IC50 = 0.28 nM) and N-(4-chloro-2-phenoxyphenyl)-N-(2-isopropoxybenzyl)acetamide (7-099, DAA1097) (PBR: IC50=0.92 nM). The compounds are aryloxyanilide derivatives, and identified with known PBR ligands such as benzodiazepine (1, Ro5-4864), isoquinoline (2, PK11195), imidazopyridine (3, Alpidem), and indole (5, FGIN-1-27) derivatives. The aryloxyanilide derivatives, which have been derived by opening the diazepine ring of 1, are a novel class as PBR ligands and have exhibited high and selective affinity for peripheral benzodiazepine receptors (PBRs). These novel derivatives would be useful for exploring the functions of PBR. In this paper, the design, synthesis and structure-affinity relationships of aryloxyanilide derivatives are described. (C) 2003 Elsevier Ltd. All rights reserved.
• Cyclic GMP phosphodiesterase inhibitors. 1. The discovery of a novel potent inhibitor, 4-[[3,4-(methylenedioxy)benzyl]amino]-6,7,8-trimethoxyquinazoline
  作者：Yasutaka Takase、Takao Saeki、Masatoshi Fujimoto、Isao Saito

  DOI：10.1021/jm00076a003

  日期：1993.11

  A newly synthesized compound, 4-((3,4-(methylenedioxy)benzyl)amino)-6,7,8-trimethoxyquinazo-line (6), had a potent (IC50 = 0.36 mu M) inhibitory action on cyclic GMP phosphodiesterase (cGMP- PDE) isolated from porcine aorta; its inhibitory activities toward other PDE isozymes were at least 10-fold weaker. In addition, 6 relaxed porcine coronary arteries precontracted with PGF(2 alpha), (EC(50) = 1.96 +/- 0.58 mu M). At the concentration of 30 mu M, 6 caused elevation of the intracellular cGMP level in porcine coronary arteries without any change in cAMP level. Various other 4-substituted 6,7,8-trimethoxyquinazolines were also synthesized and evaluated for cGMP-PDE inhibitory activity. From their structure-activity relationships, we concluded that the 4-((3,4-(methylenedioxy)benzyl)amino) group is essential for potent inhibition of cGMP-PDE.
• α-Benzyltetrahydrofurfurylamines--a New Series of Psychomotor Stimulants. I
  作者：Robert L. Clarke、Louis S. Harris

  DOI：10.1021/jm01236a010

  日期：1962.1.1