4-氨基-3,5-二氯苯甲酸甲酯 | 41727-48-4

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类卤化物
• 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: 4-氨基-3,5-二氯苯甲酸甲酯
• 英文名称: methyl 4-amino-3,5-dichlorobenzoate
• 英文别名: 3.5-Dichlor-4-amino-benzoesaeure-methylester；methyl 3,5-dichloro-4-amino-benzoate
• CAS: 41727-48-4
• 化学式: C₈H₇Cl₂NO₂
• mdl: MFCD08436086
• 分子量: 220.055
• InChiKey: LBEKFAUAYVGHFP-UHFFFAOYSA-N

物化性质

• 熔点：
  79-81

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

制备方法与用途

4-氨基-3,5-二氯苯甲酸甲酯可作为有机合成中间体和医药中间体使用，主要应用于实验室研发及化工生产过程。

反应信息

• 作为反应物：
  描述：

  4-氨基-3,5-二氯苯甲酸甲酯 在 potassium iodide 、 sodium nitrite 作用下， 以 硫酸 、 水 为溶剂， 生成 methyl 3,5-dichloro-4-iodobenzoate
  参考文献：
  名称：

  Pesticidal compounds

  摘要：

  这个公式中的双环辛烷杀虫剂是通过环化反应制备的。在这些公式中，R可以是各种有机基团，最好是正丁基或正丙基，而R²是多取代苯基。

  公开号：

  EP0279698A3
• 作为产物：
  描述：

  1,2,3,3,5,5,6-heptachloro-4-chloroimino-cyclohexanecarboxylic acid methyl ester 在 盐酸 、 溶剂黄146 、 tin(ll) chloride 作用下， 生成 4-氨基-3,5-二氯苯甲酸甲酯
  参考文献：
  名称：

  van der Stelt; Nauta, Recueil des Travaux Chimiques des Pays-Bas, 1959, vol. 78, p. 534,540

  摘要：

  DOI：

文献信息

• Urea-substituted benzoylguanidines, process for their preparation, their
  申请人：Hoechst Aktiengesellschaft

  公开号：US05559153A1

  公开（公告）日：1996-09-24

  Urea-substituted benzoylguanidines, process for their preparation, their use as pharmaceutical or diagnostic, and pharmaceutical containing them There are described benzoylguanidines of the formula I ##STR1## where R(1), R(3) or R(4) is --NR(6) C.dbd.X NR(7)R(8); X is oxygen, sulfur, R(6), R(7) and R(8) are H, (perfluoro)alk(en)yl, where R(7) and R(8) can also together be 4 or 5 methylene groups, the substituents R(1) to R(5) remaining in each case are H, Hal, (fluoro) alk(en)yl, CN, NO.sub.2, NR(16)R(17). On account of their pharmacological properties, the compounds are outstandingly suitable for use as anti-arrhythmic pharmaceuticals having a cardioprotective component for the prophylaxis and treatment of infarction as well as for the treatment of angina pectoris, the compounds also inhibiting or strongly reducing, in a preventive manner, the pathophysiological processes in association with the occurrence of ischemically induced damage, in particular in association with the elicitation of ischemically induced cardiac arrhythmias. They are obtained by reacting a compound of the formula II. ##STR2## in which L is a leaving group which can readily be substituted nucleophilically, with guanidine.

  尿素取代苯甲酰胍，其制备方法，其用途作为药用或诊断药物，以及含有它们的药物。描述了式I的苯甲酰胍##STR1##其中R(1)，R(3)或R(4)为--NR(6) C.dbd.X NR(7)R(8)；X为氧，硫，R(6)，R(7)和R(8)为H，(全氟)烷基，其中R(7)和R(8)也可以共同为4或5个亚甲基基团，每种情况下保持不变的取代基R(1)到R(5)为H，卤素，(氟)烷基，CN，NO.sub.2，NR(16)R(17)。由于它们的药理特性，这些化合物非常适合用作具有心脏保护成分的抗心律失常药物，用于预防和治疗梗死以及治疗心绞痛，这些化合物还以预防性方式抑制或强烈减少与缺血性损伤发生相关的病理生理过程，特别是与诱发缺血性心律失常相关的病理生理过程。它们是通过将式II的化合物反应而得到的。##STR2##其中L是一个易于被亲核取代的离去基团，与胍反应。
• MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO
  申请人：Dow AgroSciences LLC

  公开号：US20170210723A1

  公开（公告）日：2017-07-27

  This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda, processes to produce such molecules, intermediates used in such processes, compositions containing such molecules, and processes of using such molecules and compositions against such pests. These molecules and compositions may be used, for example, as acaricides, insecticides, miticides, molluscicides, and nematicides. This document discloses molecules having the following formula (“Formula One”).

  这份披露涉及具有对节肢动物门、软体动物门和线虫门害虫具有杀虫效用的分子领域，用于生产这种分子的过程，用于这种过程的中间体，含有这种分子的组合物，以及使用这种分子和组合物对抗这些害虫的过程。这些分子和组合物可以用作杀螨剂、杀虫剂、杀螨剂、杀软体动物剂和杀线虫剂。本文件披露了具有以下式（“式一”）的分子。
• Heterocyclic pesticidal compounds
  申请人：The Wellcome Foundation

  公开号：US05502073A1

  公开（公告）日：1996-03-26

  Compounds of the formula (I) ##STR1## which contain between 10 and 27 carbon atoms, and wherein m and n are independently selected from 0, 1 and 2; R.sup.2a is hydrogen, methyl, or ethyl; R.sup.2b is acetylene or contains between 3 and 18 carbon atoms and is a group R.sup.7, wherein R.sup.7 is a C.sub.1-13 non-aromatic hydrocarbyl group, optionally substituted by a cyano or C.sub.1-4 carbalkoxy group and/or by one or two hydroxy groups and/or by one to five halo atoms which are the same or different and/or by one to three groups R.sup.8 which are the same or different and each contain one to four hetero atoms, which are the same or different and are chosen from oxygen, sulphur, nitrogen and silicon, 1 to 10 carbon atoms and optionally 1 to 6 fluoro or chloro atoms or R.sup.2b is a 6-membered aromatic ring substituted by cyano and/or by one to three groups R.sup.8 and/or by a group --C.tbd.CH, --C.tbd.C-R.sup.7 or C.tbd.C-halo and/or by one to five halo atoms and/or by one to three C.sub.1-4 haloalkyl groups wherein R.sup.7 and R.sup.8 are as hereinbefore defined; R.sup.4 and R.sup.6 are the same or different and are chosen from hydrogen, methyl, trifluoromethyl or cyano; and R.sup.5 is hydrogen or methyl provided that R.sup.2b is not propyl or butyl are described which have pesticidal activity, particularly against arthropod pests. Pesticidal formulations containing the compounds of the formula (I), their use in the control of pests and method for their preparation are also disclosed.

  化学式（I）##STR1##中含有10至27个碳原子，其中m和n分别选自0、1和2；R.sup.2a为氢、甲基或乙基；R.sup.2b为乙炔或含有3至18个碳原子且为基团R.sup.7，其中R.sup.7为C.sub.1-13非芳香烃基团，可选择地被氰基或C.sub.1-4羰基烷氧基团取代和/或被一个或两个羟基取代和/或被一个到五个相同或不同的卤原子取代和/或被一个到三个相同或不同的基团R.sup.8取代，每个基团R.sup.8含有一个到四个相同或不同的杂原子，这些杂原子选自氧、硫、氮和硅，1至10个碳原子和可选择地1至6个氟或氯原子，或R.sup.2b为被氰基取代的6元芳环和/或被一个到三个基团R.sup.8取代和/或为基团--C.tbd.CH、--C.tbd.C-R.sup.7或C.tbd.C-卤基取代和/或被一个到五个卤原子取代和/或被一个到三个C.sub.1-4卤代烷基团取代，其中R.sup.7和R.sup.8如前所定义；R.sup.4和R.sup.6相同或不同，选自氢、甲基、三氟甲基或氰基；R.sup.5为氢或甲基，前提是R.sup.2b不是丙基或丁基，描述了具有杀虫活性的化合物，特别是对节肢动物害虫。还公开了含有化合物（I）的杀虫配方，其在害虫控制中的使用以及其制备方法。
• Process for the preparation of 2,4- or 2,6-dihalogeno-aniline
  申请人：Bayer Aktiengesellschaft

  公开号：US05145958A1

  公开（公告）日：1992-09-08

  2,4- or 2,6-dihalogeno-aniline can be prepared by reacting an amino-benzoic acid ester of the formula ##STR1## in which R.sup.1, R.sup.2 and R.sup.3 have the meanings indicated in the description, with 2-2.5 moles of a chlorinating or brominating agent in an inert reaction medium at a temperature of 40.degree.-160.degree. C. and subsequently hydrolyzing and decarboxylating the dihalogenated amino-benzoic acid ester.

  2,4-或2,6-二卤苯胺可以通过将式中R.sup.1、R.sup.2和R.sup.3具有描述中指示的含义的氨基苯甲酸酯与2-2.5摩尔的氯化或溴化剂在惰性反应介质中在40-160摄氏度的温度下反应，然后水解和脱羧二卤氨基苯甲酸酯来制备。
• (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents
  申请人：——

  公开号：US20030092712A1

  公开（公告）日：2003-05-15

  Compounds described by the chemical formula (I) or a pharmaceutically acceptable salt thereof: 1 are inhibitors of p38 useful in the treatment of inflammatory diseases such as arthritis.

  根据化学公式(I)或其药物可接受的盐描述的化合物： 1 是p38的抑制剂，可用于治疗类风湿性关节炎等炎症性疾病。