(1-溴-2,2-二甲基丙基)苯 | 70712-85-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (1-溴-2,2-二甲基丙基)苯
• 英文名称: (1-bromo-2,2-dimethylpropyl)benzene
• CAS: 70712-85-5
• 化学式: C₁₁H₁₅Br
• 分子量: 227.144
• InChiKey: NVGZJMUNKNRGHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (1-溴-2,2-二甲基丙基)苯 在 水 作用下， 以 丙酮 为溶剂， 生成 2,2-二甲基-1-苯基-1-丙醇
  参考文献：
  名称：

  On the Significance of Electrophilic Pull in Solvolysis. Abnormally Low Tosylate/Bromide Rate Ratio and Unusually High Reactivity for 1-(2,6-Dimethylphenyl)-2,2- dimethyl-1-propyl Bromide

  摘要：

  DOI：

  10.1021/jo951776z
• 作为产物：
  描述：

  (2,2-二甲基丙基)苯 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 以80%的产率得到(1-溴-2,2-二甲基丙基)苯
  参考文献：
  名称：

  Electrochemical reduction of (1-bromo-2,2-dimethylpropyl)benzene in dimethylformamide on carbon electrodes

  摘要：

  DOI：

  10.1021/jo00388a028

文献信息

• [EN] TRIAZOLONE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE TRIAZOLONE ET LEURS UTILISATIONS
  申请人：INCEPTION 2 INC

  公开号：WO2013134562A1

  公开（公告）日：2013-09-12

  The invention disclosed herein is directed to compounds of Formula (I) and pharmaceutically acceptable salts thereof, which are useful in the treatment of prostate, breast, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention also comprises pharmaceutical compositions comprising a therapeutically effective amount of compound of Formula (I), or a pharmaceutically acceptable salt thereof. The invention disclosed herein is also directed to methods of treating prostate, breast, ovarian, liver, kidney, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention disclosed herein is further directed to methods of treating prostate, breast, colon, pancreatic, chronic lymphocytic leukemia, melanoma and other cancers comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist. The compounds and pharmaceutical compositions of the invention are also useful in the treatment of viral infections, such as HCV infections and HIV infections. The invention disclosed herein is also directed to a methods of preventing the onset of and/or recurrence of acute and chronic myeloid leukemia, as well as other cancers, comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist.

  本发明涉及的化合物属于式(I)及其药学上可接受的盐，可用于治疗前列腺、乳腺、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症。该发明还包括含有式(I)化合物的治疗有效量或其药学上可接受的盐的药物组合物。本发明还涉及治疗前列腺、乳腺、卵巢、肝脏、肾脏、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法。本发明还涉及治疗前列腺、乳腺、结肠、胰腺、慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法，包括给予选择性PPARα拮抗剂的治疗有效量。本发明的化合物和药物组合物还可用于治疗病毒感染，如HCV感染和HIV感染。本发明还涉及一种预防急性和慢性骨髓性白血病以及其他癌症发作和/或复发的方法，包括给予选择性PPARα拮抗剂的治疗有效量。
• A general asymmetric copper-catalysed Sonogashira C(sp3)–C(sp) coupling
  作者：Xiao-Yang Dong、Yu-Feng Zhang、Can-Liang Ma、Qiang-Shuai Gu、Fu-Li Wang、Zhong-Liang Li、Sheng-Peng Jiang、Xin-Yuan Liu

  DOI：10.1038/s41557-019-0346-2

  日期：2019.12

  versatile reaction for the straightforward formation of C–C bonds, forging the carbon skeletons of broadly useful functionalized molecules. However, asymmetric Sonogashira coupling, particularly for C(sp3)–C(sp) bond formation, has remained largely unexplored. Here we demonstrate a general stereoconvergent Sonogashira C(sp3)–C(sp) cross-coupling of a broad range of terminal alkynes and racemic alkyl halides

  Sonogashira偶联的不断发展使它成为直接建立C–C键的公认且通用的反应，从而锻造了广泛有用的功能化分子的碳骨架。但是，特别是对于C（sp 3）–C（sp）键形成的非对称Sonogashira偶联，在很大程度上仍未得到开发。在这里，我们展示了一个一般的立体会聚Sonogashira C（sp 3）–C（sp）使用手性金鸡纳生物碱基的P，N-配体，通过铜催化的自由基参与的炔基化作用实现了广泛的末端炔烃和外消旋烷基卤化物（> 120实例）的交叉偶联。与工业相关的乙炔和丙炔已成功整合，为可扩展且经济的合成应用奠定了基础。该方法的潜在用途在具有丰富手性C（sp 3）–C（sp / sp 2 / sp 3）特征的立体富集的生物活性或功能分子衍生物，药物化合物和天然产物的简便合成中得到了证明。）债券。这项工作强调了自由基物种对发展对映会聚转化的重要性。
• Benzimidazole derivatives and their use as KDR kinase protein inhibitors
  申请人：Babin Didier

  公开号：US20050009894A1

  公开（公告）日：2005-01-13

  The invention discloses and claims benzimidazole compounds of formula (I): wherein X is C—R2; Y is C—R2 or C—R3; W and Z are each C—R3; R1 is an optionally substituted aryl, heteroaryl or a saturated 5- or 6-membered monocyclic heterocyclic radical or a bicyclic heterocyclic radical; and A5 is H or alkyl; or a stereoisomer, a racemate, an enantiomer or a diastereoisomer of said compound of formula (I) or a pharmaceutically acceptable salt thereof; the use of compounds of formula (I) for the treatment of a disorder of proliferation of blood vessels, uncontrolled angiogenesis, a fibrotic disorder, a disorder of proliferation of mesangial cells, a metabolic disorder, allergy, asthma, thrombosis, a disease of the nervous system, retinopathy, psoriasis, rheumatoid arthritis, diabetes, muscle degeneration, solid tumors and cancers, pharmaceutical compositions comprising a compound of formula (I) and one or more pharmaceutically acceptable adjuvants or diluents and pharmaceutical compositions comprising a compound of formula (I) and one or more. antimitiotic agents.

  该发明公开和要求具有以下结构的苯并咪唑化合物（I）：其中X为C—R2；Y为C—R2或C—R3；W和Z均为C—R3；R1为选择性取代的芳基、杂环芳基或饱和的5-或6-成员单环杂环基或双环杂环基；A5为H或烷基；或者为该化合物的立体异构体、拉克酸盐、对映异构体或二对映异构体；该化合物的用途为治疗血管增殖障碍、不受控制的血管生成、纤维化障碍、系膜细胞增殖障碍、代谢障碍、过敏、哮喘、血栓形成、神经系统疾病、视网膜病变、银屑病、类风湿性关节炎、糖尿病、肌肉退化、实体肿瘤和癌症的药物组合物包括化合物（I）和一个或多个药用辅料或稀释剂，以及包括化合物（I）和一个或多个抗有丝分裂剂的药物组合物。
• [EN] AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-a<br/>[FR] AGONISTES DU RÉCEPTEUR ? ACTIVÉ DE LA PROLIFÉRATION DES PEROXYSOMES
  申请人：ARYX THERAPEUTICS INC

  公开号：WO2010071813A1

  公开（公告）日：2010-06-24

  Disclosed are compounds of the formula: (I) And pharmaceutically acceptable salts thereof, wherein the variables are as defined herein, which are useful in activating PP ARa and in treating atherosclerosis hypercholesterolemia, primary hypercholesterolemia or mixed dyslipidemia, hypertriglyceridemia, Frederickson Types IV and V hyperlipidemia. Pharmaceutical compositions, intermediates useful in the preparation of the compounds of formula I and methods of making the compounds of formula I are also disclosed.

  本公开了以下化合物的公式：(I)及其药用可接受的盐，其中变量如本文所定义，这些化合物在激活PP ARa和治疗动脉粥样硬化高胆固醇血症、原发性高胆固醇血症或混合脂质代谢异常、高三酸甘油酯血症、Frederickson IV和V型高脂血症方面有用。还公开了制备公式I化合物的药物组合物、中间体以及制备公式I化合物的方法。
• Comparing Halogen Atom Abstraction Kinetics for Mn(I), Fe(I), Co(I), and Ni(I) Complexes by Combining Electroanalytical and Statistical Modeling
  作者：Tianhua Tang、Nathan C. Friede、Shelley D. Minteer、Matthew S. Sigman

  DOI：10.1002/ejoc.202200064

  日期：2022.4.12

  electroanalytical and statistical modelling platform, benzyl halide activation kinetics were profiled for five low-valent first-row transition metal complexes (Mn, Fe, Co, and Ni). A unified halogen atom abstraction mechanism was identified while subtle differences can be viewed through analysis of the statistical models.

  在电分析和统计建模平台的支持下，对五种低价第一行过渡金属配合物（Mn、Fe、Co 和 Ni）的卤化苄活化动力学进行了分析。确定了统一的卤素原子提取机制，同时通过统计模型分析可以看到细微的差异。