1-(2-氯乙基)-1H-吡唑 | 96450-53-2

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(2-氯乙基)-1H-吡唑
• 英文名称: 1-(β-chloroethyl)pyrazole
• 英文别名: 1-chloro-2-(pyrazol-1-yl)ethane；1-(2-chloroethyl)-1H-pyrazole；1-(2-chloroethyl)pyrazole；N-(2-chloroethyl)pyrazole；1-(2-Chloro-ethyl)-1H-pyrazole
• CAS: 96450-53-2
• 化学式: C₅H₇ClN₂
• mdl: MFCD00173067
• 分子量: 130.577
• InChiKey: HUZHIOQELFFZBM-UHFFFAOYSA-N

物化性质

• 沸点：
  60°/0.3mm
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933199090
• WGK Germany：
  3
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P501,P260,P270,P264,P280,P303+P361+P353,P301+P330+P331,P363,P301+P312+P330,P304+P340+P310,P305+P351+P338+P310,P405
• 危险品运输编号：
  3265
• 危险性描述：
  H302,H314
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  1-(2-氯乙基)-1H-吡唑 在 氢氧化钾 、 对苯二酚 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以52%的产率得到1-乙烯基吡唑
  参考文献：
  名称：

  具有活性氮杂芳族基团的乙烯基单体的合成。相转移催化法

  摘要：

  摘要 报道了一种基于固-液相转移-催化条件（S/L PTC）下烷基化-消除反应制备氮杂杂环化合物的N-乙烯基衍生物的有效方法。

  DOI：

  10.1080/00397910008086974
• 作为产物：
  描述：

  2-(1H-吡唑-1-基)乙醇 在 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以75%的产率得到1-(2-氯乙基)-1H-吡唑
  参考文献：
  名称：

  Vilsmeier-Haack formylation of 2-(1H-pyrazol-1-yl)ethanol and its methyl derivatives

  摘要：

  DOI：

  10.1134/s1070363215050333

文献信息

• [EN] 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG<br/>[FR] DÉRIVÉS DE 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE EN TANT QU'INHIBITEURS DE LA PARG
  申请人：CANCER REC TECH LTD

  公开号：WO2016092326A1

  公开（公告）日：2016-06-16

  The present invention relates to compounds of formula I that function as inhibitors of PARG (Poly ADP-ribose glycohydrolase) enzyme activity wherein R1a, R1b, R1c, R1d, R1e, W, X1, X2, X3, X4, X5, X6, X7, c are each as defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which PARG activity is implicated.

  本发明涉及作为PARG（Poly ADP-ribose glycohydrolase）酶活性抑制剂的I式化合物，其中R1a、R1b、R1c、R1d、R1e、W、X1、X2、X3、X4、X5、X6、X7、c如本文所定义。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗增殖性疾病（如癌症）以及其他涉及PARG活性的疾病或症状中的用途。
• Microwave-assisted synthesis of primary amine HX salts from halides and 7 M ammonia in methanol
  作者：Mark G. Saulnier、Kurt Zimmermann、Charles P. Struzynski、Xiaopeng Sang、Upender Velaparthi、Mark Wittman、David B. Frennesson

  DOI：10.1016/j.tetlet.2003.10.146

  日期：2004.1

  on a variety of alkyl halides, as well as mesylates and tosylates. Benzylamines are obtained from benzyl halides without significant amounts of the secondary amine side products that result without microwave heating. Direct isolation of even highly volatile primary amines as their hydrogen halide salts makes the method ideal for use in parallel synthesis.

  直接从相应的卤化物进行的伯胺卤化氢盐的原子经济合成避免了产生大量的仲胺副产物，并且仅需蒸发溶剂即可获得产物，产率通常大于90％。该程序在130°C下于7 M氨的甲醇溶液（Aldrich）中进行0.5至2.5 h的微波辐射，并处理多种烷基卤化物，甲磺酸酯和甲苯磺酸酯。从苄基卤化物获得苄胺，而没有大量的仲胺副产物，而无需微波加热即可得到。直接分离高挥发性的伯胺作为卤化氢盐，使得该方法非常适合用于平行合成。
• Inhibitors of aspartyl protease
  申请人：Vertex Pharmaceuticals Incorporated.

  公开号：US20040122000A1

  公开（公告）日：2004-06-24

  The present invention relates to a novel class of sulfonamides which are aspartyl protease inhibitors. In one embodiment, this invention relates to a novel class of HIV aspartyl protease inhibitors characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting HIV-1 and HIV-2 protease activity and consequently, may be advantageously used as anti-viral agents against the HIV-1 and HIV-2 viruses. This invention also relates to methods for inhibiting the activity of HIV aspartyl protease using the compounds of this invention and methods for screening compounds for anti-HIV activity.

  本发明涉及一类新型磺胺类化合物，其为天冬氨酸蛋白酶抑制剂。在一个实施例中，本发明涉及一类新型HIV天冬氨酸蛋白酶抑制剂，其具有特定的结构和理化特征。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适用于抑制HIV-1和HIV-2蛋白酶活性，因此，可以有利地用作抗HIV-1和HIV-2病毒的抗病毒剂。本发明还涉及使用本发明的化合物抑制HIV天冬氨酸蛋白酶活性的方法以及筛选具有抗HIV活性的化合物的方法。
• AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS
  申请人：Bignan Gilles

  公开号：US20110200587A1

  公开（公告）日：2011-08-18

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating a condition including but not limited to ankylosing spondylitis, artherosclerosis, arthritis (such as rheumatoid arthritis, infectious arthritis, childhood arthritis, psoriatic arthritis, reactive arthritis), bone-related diseases (including those related to bone formation), breast cancer (including those unresponsive to anti-estrogen therapy), cardiovascular disorders, cartilage-related disease (such as cartilage injury/loss, cartilage degeneration, and those related to cartilage formation), chondrodysplasia, chondrosarcoma, chronic back injury, chronic bronchitis, chronic inflammatory airway disease, chronic obstructive pulmonary disease, diabetes, disorders of energy homeostasis, gout, pseudogout, lipid disorders, metabolic syndrome, multiple myeloma, obesity, osteoarthritis, osteogenesis imperfecta, osteolytic bone metastasis, osteomalacia, osteoporosis, Paget's disease, periodontal disease, polymyalgia rheumatica, Reiter's syndrome, repetitive stress injury, hyperglycemia, elevated blood glucose level, and insulin resistance.

  本发明涉及式(I)的化合物，制备这些化合物的方法，组合物，中间体及其衍生物，并用于治疗包括但不限于强直性脊柱炎、动脉粥样硬化、关节炎（如类风湿关节炎、感染性关节炎、儿童关节炎、银屑病性关节炎、反应性关节炎）、与骨相关的疾病（包括与骨形成有关的疾病）、乳腺癌（包括对抗雌激素治疗无效的癌症）、心血管疾病、软骨相关疾病（如软骨损伤/丧失、软骨退化以及与软骨形成有关的疾病）、软骨发育不全、软骨肉瘤、慢性背部损伤、慢性支气管炎、慢性炎症性气道疾病、慢性阻塞性肺病、糖尿病、能量稳态紊乱、痛风、假性痛风、脂质紊乱、代谢综合征、多发性骨髓瘤、肥胖、骨关节炎、遗传性骨发育不全、骨溶解性骨转移、软骨软化症、骨质疏松症、帕金森病、牙周病、多肌痛风、Reiter综合征、重复性应激损伤、高血糖、血糖水平升高和胰岛素抵抗等疾病的方法。
• SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS
  申请人：BIGNAN Gilles

  公开号：US20110150864A1

  公开（公告）日：2011-06-23

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating a condition including but not limited to ankylosing spondylitis, artherosclerosis, arthritis (such as rheumatoid arthritis, infectious arthritis, childhood arthritis, psoriatic arthritis, reactive arthritis), bone-related diseases (including those related to bone formation), breast cancer (including those unresponsive to anti-estrogen therapy), cardiovascular disorders, cartilage-related disease (such as cartilage injury/loss, cartilage degeneration, and those related to cartilage formation), chondrodysplasia, chondrosarcoma, chronic back injury, chronic bronchitis, chronic inflammatory airway disease, chronic obstructive pulmonary disease, diabetes, disorders of energy homeostasis, gout, pseudogout, lipid disorders, metabolic syndrome, multiple myeloma, obesity, osteoarthritis, osteogenesis imperfecta, osteolytic bone metastasis, osteomalacia, osteoporosis, Paget's disease, periodontal disease, polymyalgia rheumatica, Reiter's syndrome, repetitive stress injury, hyperglycemia, elevated blood glucose level, and insulin resistance.

  该发明涉及式(I)的化合物，制备这些化合物的方法，组合物，中间体及其衍生物，并用于治疗包括但不限于强直性脊柱炎、动脉粥样硬化、关节炎（如类风湿性关节炎、感染性关节炎、儿童关节炎、银屑病性关节炎、反应性关节炎）、与骨相关的疾病（包括与骨形成有关的疾病）、乳腺癌（包括对抗雌激素治疗无效的癌症）、心血管疾病、软骨相关疾病（如软骨损伤/丧失、软骨退化以及与软骨形成有关的疾病）、软骨发育不良、软骨肉瘤、慢性腰部损伤、慢性支气管炎、慢性炎症性气道疾病、慢性阻塞性肺疾病、糖尿病、能量稳态紊乱、痛风、假性痛风、脂质紊乱、代谢综合征、多发性骨髓瘤、肥胖、骨关节炎、遗传性骨发育不全、骨转移性溶骨性转移、软骨软化症、骨质疏松症、帕金森病、牙周病、多肌痛风、Reiter综合征、重复性应激损伤、高血糖、血糖水平升高和胰岛素抵抗等疾病的条件。

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