1-丁氧基-2-(氯甲基)苯 | 117721-69-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-丁氧基-2-(氯甲基)苯
• 英文名称: 2-butoxybenzyl chloride
• 英文别名: o-nBuOC6H4CH2Cl；butyl-(2-chloromethyl-phenyl)-ether；α-Chlor-2-butyloxy-toluol；2-Butyloxy-benzylchlorid；Butyl-(2-chlormethyl-phenyl)-aether；2-Butyloxy-1-chlormethyl-benzol；1-Butoxy-2-(chloromethyl)benzene
• CAS: 117721-69-4
• 化学式: C₁₁H₁₅ClO
• 分子量: 198.692
• InChiKey: PZJDKLXZSIMYQN-UHFFFAOYSA-N

物化性质

• 沸点：
  102-103 °C(Press: 4 Torr)
• 密度：
  1.042±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  1-丁氧基-2-(氯甲基)苯 在 双氧水 、 三甲胺 作用下， 以 水 为溶剂， 反应 0.33h， 以92%的产率得到2-丁氧基苯甲醛
  参考文献：
  名称：

  在水性介质中将苄基卤氧化成芳香醛或酮的绿色程序

  摘要：

  使用由三甲胺和 H2O2 原位生成的三甲胺 N-氧化物，在水性介质中将苄基卤化物绿色氧化为相应的醛或酮。反应收率极好，后处理简单。

  DOI：

  10.1080/00397910903531623
• 作为产物：
  描述：

  (2-丁氧基苯基)甲醇 在 盐酸 作用下， 生成 1-丁氧基-2-(氯甲基)苯
  参考文献：
  名称：

  N-Aralkylmorpholines¹

  摘要：

  DOI：

  10.1021/ja01271a040

文献信息

• CARBAZOLE COMPOUND HAVING ANTI-VIRUS ACTIVITY
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US20180057527A1

  公开（公告）日：2018-03-01

  The present invention relates to a carbazole compound having anti-virus activity, and more particularly, to a novel compound selected from the group of consisting of a carbazole compound which shows excellent anti-proliferative efficacy against hepatitis C virus (HCV), a pharmaceutically acceptable salt thereof, a hydrate thereof, and an isomer thereof; an anti-virus pharmaceutical composition including the novel compound as an active ingredient; a pharmaceutical composition for preventing or treating liver diseases caused by hepatitis C virus; and a method of preparing the novel compound.

  本发明涉及一种具有抗病毒活性的咔唑化合物，更具体地说，涉及一种从咔唑化合物组中选择的新化合物，该化合物对丙型肝炎病毒（HCV）表现出优异的抗增殖功效，其药用盐、水合物和异构体；包括该新化合物作为活性成分的抗病毒药物组合物；用于预防或治疗由丙型肝炎病毒引起的肝病的药物组合物；以及制备该新化合物的方法。
• Some New Analogues of Verapamil and Mepamil. Synthesis and Basic Pharmacological Properties
  作者：Gabriel Butora、Ludvík Bláha、Miroslav Rajšner、Ivan Helfert

  DOI：10.1135/cccc19921967

  日期：——

  Some new analogues of verapamil (Ia) and mepamil (Ib), calcium antagonists of arylalkylamine type, were synthesized and screened for cardiovascular activities. The basic structure was modified a) on the phenyl ring, attached to the quaternary carbon, b) on the alkyl group, attached to the quaternary carbon and c) on the alkylamino group, attached in position 3 to the n-propyl fragment. Except of 2-(2-chlorophenyl)-2-isopropyl-5-(N-methylhomoveratrylamino)valeronitrile (VIa), all the synthesized compounds exhibited lower hypotensive activity, than the mother compound, verapamil.

  一些新的维拉帕米（Ia）和美帕米（Ib）的类似物，属于芳基烷胺型钙拮抗剂，已经合成并进行心血管活性筛选。基本结构进行了修改：a）在苯环上，连接到季铵碳上，b）在烷基团上，连接到季铵碳上，c）在烷基氨基团上，连接到n-丙基片段的位置3。除了2-(2-氯苯基)-2-异丙基-5-(N-甲基同位素香豆酰胺)戊腈（VIa）外，所有合成的化合物表现出较低的降压活性，低于母化合物维拉帕米。
• 2-Isopropyl-2-phenyl-5-(N-methyl-2-phenylethylamino)-valeronitrile derivatives and processes for their preparation
  申请人：SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu

  公开号：EP0257768A1

  公开（公告）日：1988-03-02

  2-Isopropyl-2-phenyl-5-1N-methyl-2-phenylethylaminol- valeronitrile derivatives of the general formula I wherein R is a methyl, chlorine, bromine, C1 to C4 alkoxyl or methylthio group, preferably administered in the form of soluble acid addition salts, notablythe 2-methylphenyl analog as its hydrochloride, possess significant calcium-antagonistic and cardiac antiarrythmic activity. Preparation is by alkylation of the corresponding butyroni- triie derivative (obtained from the respective substituted benzyicyanide by alkylation with isopropylbromide) by 3,3-diethoxypropylchloride, subsequent acidic hydrolysis of the 5,5-diethoxy-2-isopropyl-2-phenylvaleronitrile derivative obtained to the appropriate aldehyde, and reductive alkylation of this aldehyde with N-methylhomoveratrylamine by catalytic hydrogenation over a platinum or palladium catalyst or chemical reduction using formic acid. The resulting base is optionally neutralized with a pharmaceutically acceptable organic or inorganic acid, e.g. hydrochloric or fumaric acid, into the corresponding acid addition salt.

  通式 I 的 2-异丙基-2-苯基-5-1N-甲基-2-苯乙基氨基戊腈衍生物，其中 R 是甲基、氯、溴、C1 至 C4 烷氧基或甲硫基。 其中 R 是甲基、氯、溴、C1 至 C4 烷氧基或甲硫基，最好以可溶性酸加成盐的形式给药，特别是 2-甲基苯基类似物盐酸盐，具有显著的钙拮抗剂和抗心律失常活性。 制备方法是用 3,3-二乙氧基丙基盐酸盐烷基化相应的丁腈三酸衍生物（从各自取代的苄基氰化物中用异丙基溴烷基化得到），然后酸性水解 5、5-二乙氧基-2-异丙基-2-苯基戊腈衍生物的酸性水解，得到相应的醛，然后通过铂或钯催化剂上的催化氢化作用或甲酸的化学还原作用，将该醛与 N-甲基高藜芦胺还原烷基化。得到的碱可选择与药学上可接受的有机酸或无机酸（如盐酸或富马酸）中和，生成相应的酸加成盐。
• 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。
• Carbazole compound having anti-virus activity
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US10421779B2

  公开（公告）日：2019-09-24

  The present invention relates to a carbazole compound having anti-virus activity, and more particularly, to a novel compound selected from the group of consisting of a carbazole compound which shows excellent anti-proliferative efficacy against hepatitis C virus (HCV), a pharmaceutically acceptable salt thereof, a hydrate thereof, and an isomer thereof; an anti-virus pharmaceutical composition including the novel compound as an active ingredient; a pharmaceutical composition for preventing or treating liver diseases caused by hepatitis C virus; and a method of preparing the novel compound.

  本发明涉及一种具有抗病毒活性的咔唑化合物，更具体地说，涉及一种选自以下组成的组别的新型化合物：一种对丙型肝炎病毒（HCV）具有优异抗增殖功效的咔唑化合物、其药学上可接受的盐、其水合物和其异构体；一种包括该新型化合物作为活性成分的抗病毒药物组合物；一种用于预防或治疗由丙型肝炎病毒引起的肝病的药物组合物；以及一种制备该新型化合物的方法。