2-氯-6-甲基苯氧基乙酸 | 19094-75-8

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 2-氯-6-甲基苯氧基乙酸
• 中文别名: 6-氯-邻甲苯氧基乙酸
• 英文名称: 2-methyl-6-chlorophenoxyacetic acid
• 英文别名: (2-chloro-6-methyl-phenoxy)-acetic acid；(2-Chlor-6-methyl-phenoxy)-essigsaeure；6-chloro-o-tolyloxyacetic acid；6-Chlor-2-methylphenoxyessigsaeure；2-Chloro-6-methylphenoxyacetic acid；2-(2-chloro-6-methylphenoxy)acetic acid
• CAS: 19094-75-8
• 化学式: C₉H₉ClO₃
• mdl: MFCD00270098
• 分子量: 200.622
• InChiKey: WHLKFTSLSDHFMU-UHFFFAOYSA-N

物化性质

• 熔点：
  107.5-109 °C(Solv: benzene (71-43-2))
• 沸点：
  324.2±27.0 °C(Predicted)
• 密度：
  1.313±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  2-氯-6-甲基苯氧基乙酸 生成 2-(2-chloro-6-methylphenoxy)acetic acid;N-methylmethanamine
  参考文献：
  名称：

  HAUSKRECHT, PETER;DEMOVIC, SANISLAV;MARCHALIN, MIROSLAV;CIPOVA, MARTA;BOC+

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium o-tolyloxyacetate 以7%的产率得到
  参考文献：
  名称：

  TRUCHLIK, STEFAN;DOULAK, DULAK KRAUS FRANTISEK;MICHALEK, MILAN;PALDAN, MI+

  摘要：

  DOI：

文献信息

• SUBSTITUTED BENZIMIDAZOLE DERIVATIVES
  申请人：Benson Gregory Martin

  公开号：US20090062356A1

  公开（公告）日：2009-03-05

  The invention is concerned with novel substituted benzimidazole derivatives of formula (I) wherein R 1 to R 10 and X are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds bind to FXR and can be used as medicaments.

  这项发明涉及式（I）的新型取代苯并咪唑衍生物，其中R1至R10和X如描述和权利要求中定义的那样，以及其生理上可接受的盐和酯。这些化合物与FXR结合，可用作药物。
• Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease
  申请人：——

  公开号：US20030207934A1

  公开（公告）日：2003-11-06

  Acylated &agr;-hydroxyarylbutanamines and related sulfonamides, ureas and carbamates that inhibit aspartyl protease are disclosed, as are methods of treating diseases, particularly HIV, using these compounds. The compounds have the formula: 1 A representative example is: 2

  本发明公开了一种酰化的α-羟基芳基丁胺和相关的磺酰胺、脲和氨基甲酸酯，它们能够抑制天冬氨酸蛋白酶，同时也公开了使用这些化合物治疗疾病，特别是HIV的方法。这些化合物的化学式为：1，其中一种代表性的示例为：2。
• ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS
  申请人：Inoue Tadashi

  公开号：US20120101105A1

  公开（公告）日：2012-04-26

  The present invention relates to aryl substituted carboxamide derivatives of formula (I) or a pharmaceutically acceptable salt thereof, which have blocking activities of T-type calcium channels or voltage gated sodium channels as the tetrodotoxin-sensitive (TTX-S) blockers such as Na v1.3 and Na v1.7 , and which are useful in the treatment or prevention of disorders and diseases in which T-type calcium channels or voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which T-type calcium channels or voltage gated sodium channels are involved.

  本发明涉及公式(I)或其药学上可接受的盐的芳基取代羧酰胺衍生物，其具有T型钙通道或电压门控钠通道的阻滞活性，如Nav1.3和Nav1.7等Tetrodotoxin敏感(TTX-S)阻滞剂，并且在涉及T型钙通道或电压门控钠通道的疾病或疾病的治疗或预防中有用。本发明还涉及包含这些化合物的制药组合物以及在涉及T型钙通道或电压门控钠通道的疾病或疾病的预防或治疗中使用这些化合物和组合物的用途。
• KM-408, a novel phenoxyalkyl derivative as a potential anticonvulsant and analgesic compound for the treatment of neuropathic pain
  作者：Anna Waszkielewicz、Henryk Marona、Katarzyna Pańczyk-Straszak、Barbara Filipek、Anna Rapacz、Kinga Sałat、Monika Kubacka、Agnieszka Cios、Filip Fedak、Maria Walczak、Urszula Hubicka、Anna Kwiecień、Barbara Żuromska-Witek、Przemysław W. Szafrański、Paulina Koczurkiewicz-Adamczyk、Elżbieta Pękala、Katarzyna Przejczowska-Pomierny、Krzysztof Pociecha、Elżbieta Wyska

  DOI：10.1007/s43440-022-00431-7

  日期：2023.2

  based on the search for active compounds with multitarget profiles beneficial in terms of potential side effects and on the implementation of screening for potential multidirectional central activity. Methods Compounds were synthesized by means of chemical synthesis. After antiseizure and neurotoxicity screening in vivo, KM-408 and its enantiomers were chosen for analgesic activity evaluations. Further

  背景 癫痫经常与神经性疼痛并存。我们的方法基于寻找具有多靶点特征的活性化合物，这些特征在潜在副作用方面是有益的，并且基于对潜在多向中枢活性的筛选实施。 方法 化合物是通过化学合成的方式合成的。在体内进行抗癫痫和神经毒性筛选后，选择KM-408及其对映体进行镇痛活性评价。进一步的安全性研究包括小鼠急性毒性、对大鼠正常心电图和血压的影响、大鼠全身体积描记术以及体外和生化测定。已经在大鼠中研究了静脉内和口服给药后的药代动力学。已在大鼠血清和尿液中研究了体内代谢。作为作用机制研究的一部分，进行了放射性配体结合研究。 结果 KM-408 的选定结果： K i sigma = 7.2*10 –8；K i 5-HT 1A  = 8.0*10 –7 ; ED 50 MES（小鼠，ip）= 13.3 mg/kg；福尔马林试验（I 期，小鼠，ip）——在 30 mg/kg 时有活性；SNL（大鼠，ip）——在
• Granular controlled release agrochemical compositions and process for the preparation thereof
  申请人：Everris International B.V.

  公开号：EP2545775A2

  公开（公告）日：2013-01-16

  A granular agrochemical composition is disclosed including a granular core material having a water soluble portion with a first coating layer applied on the surface of the core material and a second coating layer applied on the surface of the first coating layer. The first coating layer includes a wax composition having a biologically active ingredient incorporated therein and the second coating layer includes a polymeric composition.; The granular agrochemical composition exhibits a controlled rate of release of the biologically active ingredient therefrom over a period greater than about 30 days from the date of initial exposure of the granular composition to moisture whereby essentially all of the biologically active ingredient incorporated in the wax material of the first coating layer is released from the granular composition before the water soluble portion of the granular core material is released from the granular composition.

  本发明公开了一种颗粒状农用化学品组合物，包括一种颗粒状芯材，芯材具有水溶性部分，芯材表面涂有第一涂布层，第一涂布层表面涂有第二涂布层。颗粒状农用化学品组合物显示出生物活性成分从颗粒状组合物中释放的可控速率，从颗粒状组合物最初暴露于湿气之日起超过约 30 天的时间内，颗粒状组合物中的生物活性成分基本上全部从第一涂布层的蜡材料中释放出来，然后颗粒状芯材的水溶性部分才从颗粒状组合物中释放出来。