2-(3-bromo-4-methylphenyl)propan-2-ol | 40180-81-2

• 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: 2-(3-bromo-4-methylphenyl)propan-2-ol
• 英文别名: 2-(3-Bromo-4-methylphenyl)propan-2-ol
• CAS: 40180-81-2
• 化学式: C₁₀H₁₃BrO
• 分子量: 229.117
• InChiKey: NNVVBVHTYORBLL-UHFFFAOYSA-N

物化性质

• 沸点：
  278.2±25.0 °C(Predicted)
• 密度：
  1.351±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(3-bromo-4-methylphenyl)propan-2-ol 在 三乙基硅烷 、 aluminum (III) chloride 、 正丁基锂 、 甲烷磺酸 、 三氟化硼乙醚 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis and in vivo anti-hyperglycemic activity of gem-dimethyl-bearing C-glucosides as SGLT2 inhibitors

  摘要：

  A series of gem-dimethyl-bearing C-glucosides were designed and synthesized as SGLT2 inhibitors, with anhydrous aluminum chloride-mediated Friedel-Crafts alkylation to construct the gem-dimethyl functionality being the key step. The in vivo anti-hyperglycemic activity was evaluated with mice oral glucose tolerance test (OGTT), and all the synthesized compounds showed significant but less potent anti-hyperglycemic activity than the positive control dapagliflozin. (C) 2011 Gui Long Zhao. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.05.022
• 作为产物：
  描述：

  2-溴对异丙基苯 生成 2-(3-bromo-4-methylphenyl)propan-2-ol
  参考文献：
  名称：

  Bourgeois,G.; Lalande,R., Bulletin de la Societe Chimique de France, 1972, p. 4324 - 4334

  摘要：

  DOI：

文献信息

• Solvolysis of 2-chloro-2(3,4-disubstituted) phenylpropanes: Validity of Hammett-Brown σ+ constants in assessing additive effects of substituents
  作者：Ahmed A. Taha

  DOI：10.1002/kin.20617

  日期：2012.8

  to depict such systems. The halogen substituents' extent of conformity with additivity reflected in their relative (kobsd/kcalcd) rate ratios is found to correlate with the steric size of substituents. Plots of rate ratios against Taft's steric factor of each halogen give a linear correlation coefficient of 0.994 for the 3‐halo substituents. The 3,4‐dimethyl substituents' relative rate ratio of 1.03

  这项研究的目的是测试扩展的Hammett-Brown方程log（k XX / k HH）=ρ + Σσ +的适用性，以描述令人满意的负电性含原子取代基的加和作用，已知该负电性取代基具有多种和多组分影响多取代苯的侧链反应。该方程式首次被用来关联取代基在2-氯-2-苯基丙烷（3b-3f）具有3 F，4 Me，3 Br，4 Me，3 I，4 Me，3 Me，4 Me或3 MeO，4 Me取代基。使用90％的丙酮水溶液作为溶剂，在288、298和308 K处滴定测定速率。发现这些取代基对母体枯基氯（2-氯-2-苯基丙烷）的溶剂分解速率和活化参数的测量加成效应与上述方程式具有很好的相关性。3b–3f的log（k XX / k HH）与先前针对Σσ +的研究中主要是二取代，三取代和单取代的枯基氯化物一起绘制的图给出0.990的线性相关系数，作为描述此类系统的方程有效性的量度。发现卤素取代基与它们的相对（k
• BENZOTHIAZOL COMPOUNDS AND METHODS USING THE SAME FOR TREATING NEURODEGENERATIVE DISORDERS
  申请人：1ST Biotherapeutics, Inc.

  公开号：US20190100500A1

  公开（公告）日：2019-04-04

  The present disclosure provides a compound of general Formula (I) having c-abl kinase inhibitory activity or pharmaceutically acceptable salt thereof, a pharmaceutical composition comprising the compound, and a method useful to treat or prevent neurodegenerative diseases using the compound.

  本公开提供了具有c-abl激酶抑制活性或其药用盐的一般式（I）化合物，包括该化合物的药物组合物，以及使用该化合物治疗或预防神经退行性疾病的方法。
• [EN] SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2<br/>[FR] 1,3-BENZOTHIAZOL-2(3H)-ONES ET [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES SUBSTITUÉES FORMANT DES EFFECTEURS ALLOSTÉRIQUES POSITIFS DE MGLUR2
  申请人：MERCK SHARP & DOHME

  公开号：WO2011137046A1

  公开（公告）日：2011-11-03

  The present invention is directed to benzothiazol-one and thiazolo pyridine-one derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及苯并噻唑酮和噻唑吡啶酮衍生物，它们是代谢型谷氨酸受体的增效剂，特别是mGluR2受体，并且在治疗或预防与谷氨酸功能障碍相关的神经和精神疾病以及代谢型谷氨酸受体参与的疾病方面具有用处。该发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗代谢型谷氨酸受体参与的疾病方面的用途。
• SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF
  申请人：Lyssikatos Joseph P.

  公开号：US20120322785A1

  公开（公告）日：2012-12-20

  The invention provides novel compounds having the general formula: wherein X 1 is N or N + O − , and one of X 2 , X 3 and X 4 is N or N + —O − and the remainder of X 2 , X 3 and X 4 is C. R 2 , R 3 , R 4 , R 5 , R 6 . A, B and Y are as described herein. Additionally compositions compounds of Formula I and methods of use are further described herein.

  该发明提供了新颖的化合物，其具有以下一般式：其中X1为N或N+O−，而X2、X3和X4中的一个为N或N+—O−，而X2、X3和X4的其余部分为C。R2、R3、R4、R5、R6、A、B和Y如本文所述。此外，还进一步描述了I式化合物的组合物和使用方法。
• Substituted 1,3-Benzothiazol-2(3H)-Ones and [1,3]Thiazolo[5,4-B]Pyridin-2(IH)-Ones as Positive Allosteric Modulators of MGLUR2
  申请人：Layton Mark E.

  公开号：US20130035332A1

  公开（公告）日：2013-02-07

  The present invention is directed to benzothiazol-one and thiazolo pyridine-one derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及苯并噻唑-1和噻唑吡啶-1衍生物，它们是代谢型谷氨酸受体增强剂，特别是mGluR2受体的增强剂，并且在治疗或预防与谷氨酸功能障碍有关的神经和精神障碍以及代谢型谷氨酸受体参与的疾病方面具有用途。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗代谢型谷氨酸受体参与的疾病方面的用途。