2-异丙基-6-硝基苯酚 | 7545-71-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-异丙基-6-硝基苯酚
• 英文名称: 2-isopropyl-6-nitrophenol
• 英文别名: 3-Nitro-2-oxy-1-isopropyl-benzol；2-Isopropyl-6-nitro-phenol；6-isopropyl-2-nitrophenol；6-Nitro-2-isopropyl-phenol；2-Nitro-6-isopropylphenol；2-nitro-6-propan-2-ylphenol
• CAS: 7545-71-3
• 化学式: C₉H₁₁NO₃
• mdl: MFCD00085099
• 分子量: 181.191
• InChiKey: RRFSVDKJKYCCEK-UHFFFAOYSA-N

物化性质

• 沸点：
  237.1±28.0 °C(Predicted)
• 密度：
  1.209±0.06 g/cm3(Predicted)
• 保留指数：
  1271

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2908999090

反应信息

• 作为反应物：
  描述：

  2-异丙基-6-硝基苯酚 在 palladium on activated charcoal 氢氧化钾 、 氢气 作用下， 以 乙醇 为溶剂， 生成 7-propan-2-yl-3H-1,3-benzoxazole-2-thione
  参考文献：
  名称：

  Regulatory molecules for the 5-HT3 receptor ion channel gating system

  摘要：

  Substituted benzoxazole derivatives which possess a nitrogen containing heterocycle at C2 are selective partial agonists of the 5-HT3 receptor. Alteration of substituents on the benzoxazole nucleus affords both agonist-like and antagonist-like compounds, and uniquely modifies the function of the 5-HT3 receptor ion channel gating system. SAR and corroborative computational docking study for these partial agonists successfully explained structure and function of the 5-HT3 receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.02.054
• 作为产物：
  描述：

  2-异丙基苯胺 在 硫酸 、 硝酸 、 亚硝酸 、 溶剂黄146 作用下， 生成 2-异丙基-6-硝基苯酚
  参考文献：
  名称：

  The Effects of Growth Hormone Replacement Therapy on Bone Metabolism in Adult-Onset Growth Hormone Deficiency: A 2-Year Open Randomized Controlled Multicenter Trial

  摘要：

  成人生长激素缺乏症（GHD）患者表现出骨量显著减少和骨折率增加。生长激素（GH）替代治疗能够增加骨代谢率。关于骨矿含量（BMC）和骨密度（BMD）的长期数据主要来自于开放式的非对照试验，涉及患者人数有限。为了确定尽管骨代谢率增加但长期GH治疗是否对骨骼有益，研究将100名（59名男性和41名女性），年龄介于25至65岁（平均年龄49.7岁）且具有成年起病GHD的患者随机分配至GH治疗组（40名男性和28名女性；平均剂量为0.18 IU/kg每周）或未治疗对照组（19名男性和13名女性），持续24个月。尽管GH治疗组男性和女性患者的骨代谢参数（骨钙素[OC]，I型前胶原羧端前肽[PICP]，和吡啶醇[PYD]）与对照组相比均有类似的增加，但通过双能X射线吸收测定法评估的BMC和BMD的效果在性别上有所差异。与对照组的变化相比，男性GH治疗组患者的脊柱BMC和BMD及总髋BMD显著增加，超远端桡骨BMD则有所减少（24个月的平均±标准误变化：+6.8 ± 1.1%，p = 0.009；+5.1 ± 0.8%，p = 0.005；+3.5 ± 0.7%，p = 0.02；和−2.6 ± 0.8%，p = 0.008）。在女性患者中未观察到显著的治疗效果。尽管GH治疗导致总重塑空间增加，成年起病GHD的长期GH治疗对骨平衡有积极影响，在两年内能够维持女性的骨量，甚至在男性中增加骨量。

  DOI：

  10.1359/jbmr.2002.17.6.1081

文献信息

• Pyrazolopyrimidines as therapeutic agents
  申请人：Abbott Laboratories

  公开号：US20020156081A1

  公开（公告）日：2002-10-24

  The present invention provides compounds of Formula I, 1 including pharmaceutically acceptable salts and/or prodrugs thereof, where G, R 2 , and R 3 are defined as described herein.

  本发明提供了公式I的化合物，包括其药学上可接受的盐和/或前药，其中G、R2和R3的定义如本文所述。
• 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same
  申请人：Tsukamoto Yoshihisa

  公开号：US20050037925A1

  公开（公告）日：2005-02-17

  A compound represented by the formula: [wherein R 1 represents a hydrogen atom, a halogen, atom, alkyl group, etc., R 2 represents a hydrogen atom, a halogen atom, alkyl group, etc., R 3 , R 4 , R 5 , R 6 and R 7 each independently represent a hydrogen atom, a halogen atom, a substitutable alkyl group, a substitutable alkenyl group, alkynyl group, a substituteable cycloalkyl group, etc., or R 3 , R 4 , R 5 , R 6 and R 7 may form a ring which may be substituted, which is formed by the adjacent two of them with carbon atoms to which the respective substituents are bonded, m and n each independently represent 0 or 1.] a salt thereof, an ester derivative thereof and an agricultural chemical containing the same as an effective ingredient, and a herbicidal composition containing the compound and a second herbicidally active compound as effective ingredients.

  一种化合物由以下式子表示：[其中R1代表氢原子，卤素原子，烷基团等，R2代表氢原子，卤素原子，烷基团等，R3，R4，R5，R6和R7各自独立地代表氢原子，卤素原子，可替换的烷基团，可替换的烯基团，炔基团，可替换的环烷基团等，或R3，R4，R5，R6和R7可以形成一个环，该环可以被取代，该环由相邻的两个碳原子形成，这些碳原子与相应的取代基团相连，m和n各自独立地代表0或1。]其盐，酯衍生物及含有该化合物为有效成分的农药，以及含有该化合物和第二种草甘膦活性化合物为有效成分的除草剂组合物。
• Alkyl-substituted benzoxazinorifamycin derivative, process for preparing
  申请人：Kanegafuchi Kagaku Kogyo Kabushiki Kaisha

  公开号：US04859661A1

  公开（公告）日：1989-08-22

  A novel rifamycin derivative having the formula (I): ##STR1## wherein X.sup.1 is an alkyl group with 1 to 6 carbon atoms or a cycloalkyl group with 3 to 8 carbon atoms; X.sup.2 is a hydrogen atom or an alkyl group with 1 to 4 carbon atoms; R.sup.1 is hydrogen atom or acetyl group; A is a group represented by the formula: ##STR2## wherein R.sup.2 is an alkyl group with 1 to 4 carbon atoms or an alkoxyalkyl group with 2 to 6 carbon atoms and R.sup.3 is an alkyl group with 1 to 6 carbon atoms or an alkoxyalkyl group with 2 to 6 carbon atoms, or a group represented by the formula ##STR3## wherein ##STR4## is a 3 to 9 membered cyclic amino group with 2 to 8 carbon atoms, R.sup.4 is a hydrogen atom or an alkyl group having 1 to 4 carbon atoms, or salts thereof, a process for preparing the same and antibacterial agents containing the same as an effective ingredient. The rifamycin derivative of the present invention having the formula (I) shows a strong antibacterial activity against the Gram-positive bacteria and the acid-fast bacteria.

  具有以下式子（I）的新型利福霉素衍生物：##STR1## 其中X1为具有1到6个碳原子的烷基或具有3到8个碳原子的环烷基；X2为氢原子或具有1到4个碳原子的烷基；R1为氢原子或乙酰基；A为由以下式子表示的基团：##STR2## 其中R2为具有1到4个碳原子的烷基或具有2到6个碳原子的烷氧基烷基，R3为具有1到6个碳原子的烷基或具有2到6个碳原子的烷氧基烷基，或由以下式子表示的基团：##STR3## 其中##STR4##为具有2到8个碳原子的3到9元环氨基基团，R4为氢原子或具有1到4个碳原子的烷基，或其盐。本发明的利福霉素衍生物具有式（I），对革兰氏阳性菌和酸性快速菌表现出强烈的抗菌活性。本发明还提供了一种制备该利福霉素衍生物的方法和含有该利福霉素衍生物作为有效成分的抗菌剂。
• NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS
  申请人：Bessis Anne-Sophie

  公开号：US20090124625A1

  公开（公告）日：2009-05-14

  The present invention relates to novel compounds of formula (I) wherein W, n, X and W′ are defined in the description; invention compounds are modulators of metabotropic glutamate receptors—subtype 5 (“mGluR5”) which are useful for the treatment of central nervous system disorders as well as other disorders modulated by mGluR5 receptors.

  本发明涉及化合物的新型配方（I），其中W，n，X和W′在说明书中定义；发明的化合物是代谢型谷氨酸受体-亚型5（“mGluR5”）的调节剂，可用于治疗中枢神经系统疾病以及其他受mGluR5受体调节的疾病。
• 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same
  申请人：Tsukamoto Yoshihisa

  公开号：US20100041555A1

  公开（公告）日：2010-02-18

  A compound represented by the formula: [wherein R 1 represents a hydrogen atom, a halogen atom, alkyl group, etc., R 2 represents a hydrogen atom, a halogen atom, alkyl group, etc., R 3 , R 4 , R 5 , R 6 and R 7 each independently represent a hydrogen atom, a halogen atom, a substitutable alkyl group, a substitutable alkenyl group, alkynyl group, a substitutable cycloalkyl group, etc., or R 3 , R 4 , R 5 , R 6 and R 7 may form a ring which may be substituted, which is formed by the adjacent two of them with carbon atoms to which the respective substituents are bonded, m and n each independently represent 0 or 1.] a salt thereof, an ester derivative thereof and an agricultural chemical containing the same as an effective ingredient, and a herbicidal composition containing the compound and a second herbicidally active compound as effective ingredients.

  一种化合物，其化学式为：[其中R1代表氢原子、卤素原子、烷基等，R2代表氢原子、卤素原子、烷基等，R3、R4、R5、R6和R7各自独立地代表氢原子、卤素原子、可替换的烷基、可替换的烯基、炔基、可替换的环烷基等，或R3、R4、R5、R6和R7可形成一个环，该环可以被取代，由它们中的相邻两个碳原子形成，各自带有相应的取代基，m和n各自独立地代表0或1。]其盐、酯衍生物和含有该化合物作为有效成分的农药，以及含有该化合物和第二种除草活性化合物作为有效成分的除草剂组合物。