5-chloromethyl-benzofuran-2-carboxylic acid ethyl ester | 13257-19-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 5-chloromethyl-benzofuran-2-carboxylic acid ethyl ester
• 英文别名: 5-Chlormethyl-benzofuran-2-carbonsaeure-aethylester；ethyl 5-chloromethylbenzo[b]furan-2-carboxylate；ethyl 5-chloromethylbenzofuran-2-carboxylate；5-Chlormethyl-cumarilsaeure-ethylester；5-Chlormethyl-ethylcoumarilat；Ethyl 5-(chloromethyl)-1-benzofuran-2-carboxylate
• CAS: 13257-19-7
• 化学式: C₁₂H₁₁ClO₃
• 分子量: 238.671
• InChiKey: PJSUUSDVNQNGRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-chloromethyl-benzofuran-2-carboxylic acid ethyl ester 在 sodium hydroxide 、 溶剂黄146 、 锌 作用下， 生成 5-甲基苯并呋喃-2-羧酸
  参考文献：
  名称：

  Mndshojan; Arojan, Izvestiya Akademii Nauk Armyanskoi SSR, Khimicheskie Nauki, 1958, vol. 11, p. 45,47, 50

  摘要：

  DOI：
• 作为产物：
  描述：

  乙醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 作用下， 生成 5-chloromethyl-benzofuran-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  Stoermer; Oetker, Chemische Berichte, 1904, vol. 37, p. 195

  摘要：

  DOI：

文献信息

• Sulfonamides
  申请人：Galley Guido

  公开号：US20060014945A1

  公开（公告）日：2006-01-19

  The invention relates to compounds of the general formula in which R 1 , R 2 , R3, R 4 , R 2′ , R3′, R 4′ , R 5 , and X is —CHR— are as defined in the specification. The invention also provides pharmaceutically acceptable acid addition salts, optically pure enantiomers, racemates and diastereomeric mixtures of such compounds. The invention further provides methods for the treatment of Alzheimer's disease or common cancers.

  该发明涉及一般式化合物，其中R1、R2、R3、R4、R2'、R3'、R4'、R5和X为规范中定义的—CHR—。该发明还提供药学上可接受的酸盐加合物，光学纯对映体，外消旋体和这类化合物的二对映异构体混合物。该发明还提供治疗阿尔茨海默病或常见癌症的方法。
• Benzofuran acetic acid esters and their arthropocidal compositions
  申请人：Shell Internationale Research Maatschappij B.V.

  公开号：US04372970A1

  公开（公告）日：1983-02-08

  There are provided benzofuran-substituted acetic acid esters and compositions thereof having arthropocidal activity.

  提供了含苯并呋喃取代的乙酸酯及其具有杀虫活性的组合物。
• Heterocyclic substituted alkylsulphonamides pharmaceutical compositions
  申请人：Boehringer Mannheim GmbH

  公开号：US04931462A1

  公开（公告）日：1990-06-05

  New Sulphonamides of the formula: ##STR1## wherein R.sub.1 and R.sub.2, which can be the same or different, are hydrogen or halogen atoms, C.sub.1 -C.sub.6 -alkyl, C.sub.1 -C.sub.6 -alkoxy, C.sub.1 -C.sub.6 -alkylthio, C.sub.1 -C.sub.6 -alkylsulphinyl, C.sub.1 -C.sub.6 -alkylsulphonyl or trifluoromethyl radicals or hydroxyl or cyano groups, R.sub.3 and R.sub.8, which can be the same or different, are hydrogen atoms, C.sub.1 -C.sub.6 -alkyl, benzyl or C.sub.1 -C.sub.6 -alkanoyl radicals, R.sub.4 and R.sub.5, which can be the same or different, are hydrogen atoms or C.sub.1 -C.sub.6 -alkyl radicals, R.sub.6 and R.sub.7 are both hydrogen atoms or together form a valency bind, X is an oxygen or sulphur atom or an .dbd.NOH or .dbd.NR.sub.8 group and n is a whole number of from 1 to 4; and the physiologically acceptable salts thereof with inorganic and organic bases. These compounds are useful for example in the treatment of asthma or cardiovascular disease, thrombosis prevention and treatment, and to combat broncoconstriction.

  新的磺胺类化合物的化学式：##STR1## 其中，R.sub.1和R.sub.2可以相同或不同，分别为氢原子、卤素原子、C.sub.1-C.sub.6烷基、C.sub.1-C.sub.6烷氧基、C.sub.1-C.sub.6烷基硫基、C.sub.1-C.sub.6烷基亚磺酰基、C.sub.1-C.sub.6烷基磺酰基或三氟甲基基团或羟基或氰基；R.sub.3和R.sub.8可以相同或不同，分别为氢原子、C.sub.1-C.sub.6烷基、苯甲基或C.sub.1-C.sub.6酰基基团；R.sub.4和R.sub.5可以相同或不同，分别为氢原子或C.sub.1-C.sub.6烷基基团；R.sub.6和R.sub.7均为氢原子或一起形成一个价键；X为氧原子或硫原子或.dbd.NOH或.dbd.NR.sub.8基团，n为1至4的整数；以及与无机和有机碱的生理上可接受的盐。这些化合物在哮喘或心血管疾病的治疗、预防和治疗血栓形成以及对抗支气管收缩等方面具有用途。
• Pesticidal compounds, compositions containing them and methods of killing arthropods using them
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0029360A1

  公开（公告）日：1981-05-27

  Substituted acetic acid esters of the formula: where: R1 and R2 together represent a residue of any one of the general formulae: where X is an oxygen or a sulphur atom, or a -NH-group; Rs, R7 and R8 are each independently a hydrogen, or halogen atom, or a lower alkyl, aralkyl, aryl, lower alkoxy, or lower alkenyl or trifluoromethyl group, or R6 and R7 may be together a methylenedioxy, or R7 and R8 may be together a methylenedioxy group; R3 is a hydrogen, or halogen atom, or a lower alkyl or lower alkoxy group: R4 is a lower alkyl, lower alkenyl, lower alkynyl, lower alkoxy, cyano, halogen-substituted lower alkyl, halogen-substituted lower alkenyl gruop, or a C3 to C5 alicylic group; and R5 is the residue of an alcohol selected from alcohols known in synthetic pyrethroids and is preferably a group of one of the formulae: or and their synthesis, activity and use as pesticides, in particular in the control of arthropods, are described, These compounds are highly potent and are less phytotoxic and more photostable than pesticides of the prior art.

  式中的取代乙酸酯： 其中R1 和 R2 共同代表通式中任何一种的残基： 其中 X 为氧原子、硫原子或-NH-基团； Rs、R7 和 R8 各自独立地为氢、或卤原子、或低级烷基、芳基、芳烷氧基、或低级烯基或三氟甲基，或 R6 和 R7 可共同为亚甲基二氧基，或 R7 和 R8 可共同为亚甲基二氧基； R3 是氢、或卤原子、或低级烷基或低级烷氧基 低级烷氧基：R4 是低级烷基、低级烯基、低级炔基、低级烷氧基、氰基、卤素取代的低级烷基、卤素取代的低级烯基、或 C3 至 C5 水杨酸基团；和 R5 是醇的残基，选自合成除虫菊酯中已知的醇，最好是式中的一个基团： 或 描述了这些化合物的合成、活性以及作为杀虫剂的用途，特别是在控制节肢动物方面的用途。
• Pyridinyl and imidazolyl derivatives of benzofurans and benzothiophenes
  申请人：THE UPJOHN COMPANY

  公开号：EP0069521A2

  公开（公告）日：1983-01-12

  Compounds of the formula wherein Z, is pyridinyl or imidazolyl; X, is -(CH2)n-, -0-, -S-, -SO-, -SO2. -CH2-O-, -0-CH2-, -CH2-NR3-, -NR3-CH2-. -CHOH- or -CO-; Y, is -O- or -S-; R2 is H. C1-3 alkyl, phenyl or optionally esterified carboxyl; R7 is H, CH2OH, optionally esterified carboxyl, CN, aminomethyl. aminocarbonyl, CHO or a ketone; either Rg and R12 are independently selected from hydrogen, hydroxy, C1-4 alkyl, fluorine, chlorine, bromine and methoxy, or R9 and R12 are attached to adjacent carbon atoms and together are -O-CH2-O-; = represents a single bond (in which case the compound may be in enantiomeric or racemic form) or a double bond; and m and n are 0,1, 2,3 or 4. These compounds can inhibit TXA2 synthetase.

  式中的化合物 其中 Z 是吡啶基或咪唑基； X 是-(CH2)n-、-0-、-S-、-SO-、-SO2.-CH2-O，-0-CH2-，-CH2-NR3-，-NR3-CH2-。-CHOH-或-CO-；Y 是-O-或-S-；R2 是 H、C1-3 烷基、苯基或任选酯化的羧基；R7 是 H、CH2OH、任选酯化的羧基、CN、氨甲基或者 Rg 和 R12 独立选自氢、羟基、C1-4 烷基、氟、氯、溴和甲氧基，或者 R9 和 R12 连接到相邻的碳原子上，并共同为 -O-CH2-O-； = 代表单键（在这种情况下，化合物可能是对映异构体或外消旋体）或双键；m 和 n 分别为 0、1、2、3 或 4。这些化合物可抑制 TXA2 合成酶。