4-氯-3-甲基-1H-吡唑 | 15878-08-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 中文名称: 4-氯-3-甲基-1H-吡唑
• 中文别名: 4-氯-3-甲基吡唑；3-甲基-4-氯吡唑
• 英文名称: 4-chloro-3-methyl-1H-pyrazole
• 英文别名: 4-chloro-3-methylpyrazole；3-Methyl-4-chlor-pyrazol；4-chloro-5-methyl-1H-pyrazole
• CAS: 15878-08-7
• 化学式: C₄H₅ClN₂
• mdl: MFCD00514185
• 分子量: 116.55
• InChiKey: LCDKUXJKMAFCTI-UHFFFAOYSA-N

物化性质

• 沸点：
  218.1±20.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• TSCA：
  No
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-氯-3-甲基-1H-吡唑 在 potassium permanganate 作用下， 以 水 为溶剂， 反应 4.0h， 以10%的产率得到4-氯-1H-吡唑-5-羧酸
  参考文献：
  名称：

  4取代3羧基吡唑的制备

  摘要：

  研究了报道的三种合成方法的制备范围，这些方法用于制备一系列在4位具有取代基的3-吡唑羧酸酯。第一种是基于甲基吡唑的高锰酸钾氧化。第二步开始于DMF二甲基乙缩醛和丙酮酸乙酯之间的缩合，然后加入盐酸肼。最后一种利用重氮甲烷在丙烯酸酯上的环加成反应，然后将基于溴的氧化重排成4-取代的3-吡唑酯。

  DOI：

  10.1002/jhet.1654
• 作为产物：
  描述：

  3-甲基吡唑 在 sodium hypochlorite 作用下， 以 溶剂黄146 为溶剂， 生成 4-氯-3-甲基-1H-吡唑
  参考文献：
  名称：

  Substituted piperazines

  摘要：

  提供了作为CCR1受体强效拮抗剂的化合物，并且这些化合物在动物炎症测试中进一步得到确认，炎症是CCR1的典型疾病状态之一。这些化合物通常是芳基哌嗪衍生物，在制药组合物、治疗CCR1介导疾病的方法以及用作竞争性CCR1拮抗剂鉴定的检测中是有用的。

  公开号：

  US20040162282A1

文献信息

• Substituted piperazines
  申请人：ChemoCentryx, Inc.

  公开号：US20040162282A1

  公开（公告）日：2004-08-19

  Compounds are provided that act as potent antagonists of the CCR1 receptor, and which have been further confirmed in animal testing for inflammation, one of the hallmark disease states for CCR1. The compounds are generally aryl piperazine derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR1-mediated diseases, and as controls in assays for the identification of competitive CCR1 antagonists.

  提供了作为CCR1受体强效拮抗剂的化合物，并且这些化合物在动物炎症测试中进一步得到确认，炎症是CCR1的典型疾病状态之一。这些化合物通常是芳基哌嗪衍生物，在制药组合物、治疗CCR1介导疾病的方法以及用作竞争性CCR1拮抗剂鉴定的检测中是有用的。
• [EN] AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE<br/>[FR] COMPOSÉS D'AMINOHÉTÉROARYLE EN TANT QUE MODULATEURS DE BÊTA-SÉCRÉTASE ET PROCÉDÉS D'UTILISATION
  申请人：AMGEN INC

  公开号：WO2011090911A1

  公开（公告）日：2011-07-28

  The present invention comprises a new class of compounds useful for the modulation of Beta-secretase enzyme activity and for the treatment of Beta-secretase mediated diseases, including Alzheimer's disease (AD) and related conditions. In one embodiment, the compounds have a general Formula (I); wherein ring A, B1, B2, B3, L, R1, R2, ring Z, m and n of Formula I are defined herein. The invention also includes use of these compounds in pharmaceutical compositions for treatment, prophylactic or therapeutic, of disorders and conditions related to the activity of beta-secretase protein. Such disorders include, for example, Alzheimer's Disease (AD), cognitive deficits, cognitive impairment, schizophrenia and other central nervous system conditions related to and/or caused by the formation and/or deposition of plaque on the brain. The invention also comprises further embodiments of Formula (I), intermediates and processes useful for the preparation of compounds of Formula (I).

  本发明涉及一类新的化合物，用于调节β-分泌酶酶活性，并用于治疗β-分泌酶介导的疾病，包括阿尔茨海默病（AD）及相关疾病。在一种实施例中，这些化合物具有一般的化学式（I）；其中化合物式（I）中的环A、B1、B2、B3、L、R1、R2、环Z、m和n在此处定义。该发明还包括将这些化合物用于制备用于治疗与β-分泌酶蛋白活性相关的疾病和症状的药物组合物，包括阿尔茨海默病（AD）、认知缺陷、认知损害、精神分裂症和其他与大脑斑块的形成和/或沉积相关和/或由此引起的中枢神经系统疾病。该发明还涉及化合物式（I）的进一步实施例、中间体和用于制备化合物式（I）的有用过程。
• Preparations of 4-Substituted 3-Carboxypyrazoles
  作者：Yves L. Janin

  DOI：10.1002/jhet.1654

  日期：2013.11

  The first one is based on the potassium permanganate oxidation of methylpyrazoles. The second starts with the condensation between DMF dimethylacetal and ethyl pyruvate and is followed by the addition of hydrazine hydrochloride. The last one makes use of the cycloaddition of diazomethane on acrylate esters followed by a bromine‐based oxidative rearrangement into 4‐substituted 3‐pyrazole esters.

  研究了报道的三种合成方法的制备范围，这些方法用于制备一系列在4位具有取代基的3-吡唑羧酸酯。第一种是基于甲基吡唑的高锰酸钾氧化。第二步开始于DMF二甲基乙缩醛和丙酮酸乙酯之间的缩合，然后加入盐酸肼。最后一种利用重氮甲烷在丙烯酸酯上的环加成反应，然后将基于溴的氧化重排成4-取代的3-吡唑酯。
• Novel nitrification inhibitors, and the use of polyacids which contain a nitrification inhibitor for the treatment of inorganic fertilizers
  申请人：——

  公开号：US20030145641A1

  公开（公告）日：2003-08-07

  The use of inorganic or organic polyacids for the treatment of inorganic fertilizers, in particular the use of the polyacids as a mixture with at least one nitrification inhibitor for the treatment of inorganic fertilizers; the use of selected pyrazole derivatives as nitrification inhibitor in inorganic fertilizers and also as stabilizers of liquid manure or liquid fertilizer formulations, as well as the corresponding treated inorganic fertilizers per se; and novel pyrazole derivatives which can be used as nitrification inhibitors in inorganic fertilizers and also as stabilizers of liquid manure or liquid fertilizer formulations are described.

  使用无机或有机多酸处理无机肥料，特别是将多酸与至少一种硝化抑制剂混合物一起用于无机肥料的处理；选择的吡唑类衍生物作为无机肥料的硝化抑制剂，并且作为液体肥料或液体肥料配方的稳定剂，以及相应的处理过的无机肥料本身；并描述了可用作无机肥料的硝化抑制剂以及液体肥料或液体肥料配方的稳定剂的新型吡唑类衍生物。
• Nitrification inhibitors, and the use of polyacids which contain a nitrification inhibitor for the treatment of inorganic fertilizers
  申请人：BASF Aktiengesellschaft

  公开号：US06802882B2

  公开（公告）日：2004-10-12

  The use of inorganic or organic polyacids for the treatment of inorganic fertilizers, in particular the use of the polyacids as a mixture with at least one nitrification inhibitor for the treatment of inorganic fertilizers; the use of selected pyrazole derivatives as nitrification inhibitor in inorganic fertilizers and also as stabilizers of liquid manure or liquid fertilizer formulations, as well as the corresponding treated inorganic fertilizers per se; and novel pyrazole derivatives which can be used as nitrification inhibitors in inorganic fertilizers and also as stabilizers of liquid manure or liquid fertilizer formulations are described.

  本文描述了使用无机或有机聚酸处理无机肥料，特别是将聚酸与至少一种硝化抑制剂混合物一起用于无机肥料的处理；选择的吡唑衍生物作为无机肥料的硝化抑制剂，同时也作为液态粪肥或液态肥料配方的稳定剂，以及相应的处理过的无机肥料本身；以及可用作无机肥料的硝化抑制剂和液态粪肥或液态肥料配方稳定剂的新型吡唑衍生物。