(4-chlorophenyl)(2-methyl-2H-pyrazol-3-yl)methanol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-chlorophenyl)(2-methyl-2H-pyrazol-3-yl)methanol
• 英文别名: α-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-methanol；α-(4-chlorophenyl)-1-methyl-1H-pyrazole-5methanol；5-(4-chloro-α-hydroxybenzyl)-1-methyl-1H-pyrazole；(+/-)-(4-Chlorophenyl)(2-methyl-2H-pyrazol-3-yl)methanol；(4-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
• 化学式: C₁₁H₁₁ClN₂O
• 分子量: 222.674
• InChiKey: IZDDUTJSMOSXTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-羟基哌啶 、 (4-chlorophenyl)(2-methyl-2H-pyrazol-3-yl)methanol 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 4.96h， 以87%的产率得到4-[(4-chlorophenyl)(2-methyl-2H-pyrazol-3-yl)methoxy]piperidine
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST

  摘要：

  提供一种作为抗过敏剂使用的杂环化合物。所述化合物由以下式（1）或其盐表示：其中环A是同环或杂环；环B是一个杂环，其中包含G和氮原子N作为其组成原子，其中G是CH或N；R1是一个羰基或一个烷基基团；R2a和R2b是烷基基团、环烷基基团、芳基团或杂环基团；X是一个氧原子或硫原子；Z是一个羟基、烷氧基、环烷氧基、芳氧基、芳基氧基、氨基或N-取代氨基；n为0或1；但条件是当环A为苯环或环B为哌嗪环时，R1是可能有取代基的烷基基团。

  公开号：

  US20130085127A1
• 作为产物：
  描述：

  1-甲基吡唑 、 4-氯苯甲醛 在 lanthanium (III) chloride bis(lithium chloride) complex 、 lithium dicyclohexylamide 、 三(2-呋喃基)膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 四氢呋喃 为溶剂， 反应 2.01h， 以62%的产率得到(4-chlorophenyl)(2-methyl-2H-pyrazol-3-yl)methanol
  参考文献：
  名称：

  在连续流中存在 Mg、Zn 或 La 卤化物的情况下使用 Cy2NLi 进行功能化芳烃和杂芳烃的实用且经济的锂化

  摘要：

  经济的酰胺基二环己基酰胺锂 (Cy2NLi) 可以快速方便地（40 s，0 °C）原位捕获各种官能化芳烃、杂芳烃和丙烯酸酯的流动金属化......

  DOI：

  10.1039/c5sc02558c

文献信息

• Heterocyclic compound and H1 receptor antagonist
  申请人：Okada Makoto

  公开号：US09365553B2

  公开（公告）日：2016-06-14

  A heterocyclic compound useful as an antiallergic agent is provided. A compound represented by the following formula (1) or a salt thereof: wherein the ring A is a homocyclic or heterocyclic ring; the ring B is a heterocyclic ring which contains G and nitrogen atom N as constituent atoms thereof, wherein G is CH or N; R1 is a carbonyl group or an alkylene group; R2a and R2b are an alkyl group, a cycloalkyl group, an aryl group, or a heterocyclic group; X is an oxygen atom or a sulfur atom; Z is a hydroxyl group, an alkoxy group, a cycloalkyloxy group, an aryloxy group, an aralkyloxy group, an amino group, or an N-substituted amino group; and n is 0 or 1; with the proviso that when the ring A is a benzene ring or when the ring B is a piperazine ring, R1 is an alkylene group which may have a substituent.

  提供一种作为抗过敏药物有用的杂环化合物。该化合物由以下公式（1）或其盐表示：其中，环A是同环或异环环；环B是含有G和氮原子N作为其组成原子的杂环，其中G是CH或N；R1是羰基基团或烷基基团；R2a和R2b是烷基基团、环烷基基团、芳基基团或杂环基团；X是氧原子或硫原子；Z是羟基基团、烷氧基团、环烷氧基团、芳氧基团、芳烷氧基团、氨基或N-取代氨基；n为0或1；但当环A为苯环或环B为哌嗪环时，R1为可能具有取代基的烷基基团。
• UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1103243A2

  公开（公告）日：2001-05-30

  The derivatives of aryl(or heteroaryl)azolylcarbinol (I) wherein Ar is optionally substituted phenyl or thienyl, R1 is a hydrogen atom, a cyclohexyl group, N-methylpiperidyl group, phenyl group, vinyl group or C1-C4 alkyl group; R2 is H, dialkylaminoalkyl, alkylazaheterocycloalkyl or azaheterocyclylalkyl and Het is a nitrogenated aromatic heterocycle of 5 members which contains from 1 to 3 nitrogen atoms and is optionally substituted, are useful for the treatment of troubles which are mediated by an excess of substance P, specially certain troubles of the central nervous system such as anxiety, depression, schizophrenia, maniaco-depressive psychosis, sexual dysfunction, drug addiction, cognitive troubles, locomotion troubles, etc. in mammals, including human beings.

  芳基(或杂芳基)偶氮基甲醇的衍生物(I) 其中 Ar 是任选取代的苯基或噻吩基，R1 是氢原子、环己基、N-甲基哌啶基、苯基、乙烯基或 C1-C4 烷基；R2 是 H、二烷基氨基烷基、烷基杂环烷基或杂环烷基，Het 是含有 1 至 3 个氮原子并被任选取代的 5 个成员的氮化芳香杂环，可用于治疗由过量 P 物质介导的疾病，特别是中枢神经系统的某些疾病，如焦虑症、抑郁症、精神分裂症、躁狂抑郁性精神病、性功能障碍、药物成瘾、认知障碍、运动障碍等。等。
• Active substance combination comprising a carbinol composition and an opioid
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1584335A2

  公开（公告）日：2005-10-12

  The present invention relates to an active substance combination comprising at least one substituted carbinol compound and at least one opioid, a medicament comprising said active substance combination, a pharmaceutical formulation comprising said active substance combination and the use of said active substance combination for the manufacture of a medicament.

  本发明涉及一种由至少一种取代的甲醇化合物和至少一种阿片类药物组成的活性物质组合、一种由所述活性物质组合组成的药物、一种由所述活性物质组合组成的药物制剂以及使用所述活性物质组合制造药物。
• Derivatives of aryl (or heteroaryl) azolylcarbinols (in particular cizolirtin citrate) for the treatment of opioid addiction
  申请人：Laboratorios Dr. Esteve S.A.

  公开号：EP1632227A1

  公开（公告）日：2006-03-08

  The present invention refers to the use of derivatives of aryl (or heteroaryl) azolylcarbinols of general formula (I), and their physiologically acceptable salts, as medicinal products for human and/or animal therapeutics for the treatment of the symptoms of central neuropathic pain, especially certain subtypes of central neuropathic pain, as well as treatment of the disease causing the symptoms, the prevention or the prophylaxis of the symptoms of central neuropathic pain, especially certain subtypes of central neuropathic pain, as well as the prevention or the prophylaxis of the disease causing the symptoms. The preferred compound is Cizolirtin Citrate.

  本发明是指将通式（I）的芳基（或杂芳基）唑基甲醇的衍生物及其生理上可接受的盐类作为人类和/或动物治疗的药物产品，用于治疗中枢神经病理痛的症状，尤其是某些亚型的中枢神经病理痛，以及治疗引起中枢神经病理痛症状的疾病，预防中枢神经病理痛的症状，尤其是某些亚型的中枢神经病理痛、特别是某些亚型的中枢神经病理痛，以及治疗引起症状的疾病，预防中枢神经病理痛的症状，特别是某些亚型的中枢神经病理痛，以及预防引起症状的疾病。首选化合物是枸橼酸西唑利汀。
• Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of central neuropathic pain
  申请人：Laboratorios Dr. Esteve S.A.

  公开号：EP1642577A1

  公开（公告）日：2006-04-05

  The present invention refers to the use of derivatives of aryl (or heteroaryl) azolylcarbinols of general formula (I), and their physiologically acceptable salts, as medicinal products for human and/or animal therapeutics for the treatment of the symptoms of central neuropathic pain, especially certain subtypes of central neuropathic pain, as well as treatment of the disease causing the symptoms, the prevention or the prophylaxis of the symptoms of central neuropathic pain, especially certain subtypes of central neuropathic pain, as well as the prevention or the prophylaxis of the disease causing the symptoms.

  本发明是指将通式（I）的芳基（或杂芳基）唑基甲醇的衍生物及其生理上可接受的盐类作为人类和/或动物治疗的药物产品，用于治疗中枢神经病理痛的症状，尤其是某些亚型的中枢神经病理痛，以及治疗引起中枢神经病理痛症状的疾病，预防中枢神经病理痛的症状，尤其是某些亚型的中枢神经病理痛、特别是某些亚型的中枢神经病理痛，以及治疗引起症状的疾病，预防中枢神经病理痛的症状，特别是某些亚型的中枢神经病理痛，以及预防引起症状的疾病。