methanesulfonic acid 4-bromo-3-methylphenyl ester | 267659-62-1

• 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: methanesulfonic acid 4-bromo-3-methylphenyl ester
• 英文别名: 4-Bromo-1-[methanesulfonyloxy]-3-methylbenzene；(4-bromo-3-methylphenyl) methanesulfonate
• CAS: 267659-62-1
• 化学式: C₈H₉BrO₃S
• 分子量: 265.128
• InChiKey: CJTMJKJAHPRPIB-UHFFFAOYSA-N

物化性质

• 沸点：
  358.9±42.0 °C(Predicted)
• 密度：
  1.588±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methanesulfonic acid 4-bromo-3-methylphenyl ester 在 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 、 N-溴代丁二酰亚胺(NBS) 、 copper(l) iodide 、 偶氮二异丁腈 、 三乙酰氧基硼氢化钠 、 sodium hydride 、 caesium carbonate 、 三乙胺 作用下， 以 四氯化碳 、 二甲基亚砜 、 乙酸乙酯 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-Ethynyl-23-oxo-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
  参考文献：
  名称：

  Macrocyclic piperazinones as potent dual inhibitors of farnesyltransferase and geranylgeranyltransferase-I

  摘要：

  A series of macrocyclic piperazinone compounds with dual farnesyltransferase/geranylgeranyltransferase-I inhibitory activity was prepared. These compounds were found to be potent inhibitors of protein prenylation in cell culture. A hypothesis for the binding mode of compound 3o in FPTase is proposed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.051
• 作为产物：
  描述：

  4-溴-3-甲基苯酚 、 甲基磺酸酐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 methanesulfonic acid 4-bromo-3-methylphenyl ester
  参考文献：
  名称：

  芳基甲磺酸酯是亲核芳族取代反应中方便的潜在酚

  摘要：

  苯酚的甲磺酰基保护基在S N Ar反应条件下与活化的芳基卤化物方便地被掩盖，直接生产二芳基醚产物。该方法是有利的，当一个酚基片的制备需要ø -防护，由于鲁棒甲磺酸盐作为潜苯酚消除脱保护之前，在S步骤的选择Ñ的Ar反应。

  DOI：

  10.1016/s0040-4039(99)00660-7

文献信息

• Inhibitors of prenyl-protein transferase
  申请人：Merck & Co., Inc.

  公开号：US06441017B1

  公开（公告）日：2002-08-27

  The present invention is directed to macrocyclic compounds which inhibit prenyl-protein transferase (FTase) and the prenylation of the oncogene protein Ras. The invention is further directed to chemothera-peutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

  本发明涉及抑制萜基-蛋白转移酶（FTase）和致癌基因蛋白Ras的大环化合物。该发明还涉及含有本发明化合物的化疗组合物以及抑制萜基-蛋白转移酶和致癌基因蛋白Ras的方法。
• NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20150372349A1

  公开（公告）日：2015-12-24

  The present invention provides a nonaqueous electrolytic solution capable of improving electrochemical characteristics in the case of using an energy storage device at a high temperature and further capable of inhibiting the gas generation as well as a capacity retention rate after a high-temperature cycle, and also to provide an energy storage device using the same. Disclosed are a nonaqueous electrolytic solution having an electrolyte salt dissolved in a nonaqueous solvent, the nonaqueous electrolytic solution containing a phenyl ester compound represented by the following general formula (I), and an energy storage device. (In the formula, R f represents a fluoroalkyl group having 1 to 6 carbon atoms; X represents a halogen atom; each of p and q is an integer of 1 to 4; and (p+q) is 5 or less. A has a structure represented by —S(═O) 2 —, —C(═O)—, —C(═O)—O—, —C(═O)-L 1 -C(═O)—, —C(═O)-L 2 -P(═O)(OR)—O—, or —P(═O)(OR)—O—. Y represents a fluorine atom, a hydrogen atom, an alkyl group, an alkenyl group, an alkynyl group, or an aryl group; L 1 represents an alkylene group, an alkenylene group, an alkynylene group, or a direct bond; L 2 represents an alkylene group; and R represents an alkyl group. However, only when A is —S(═O) 2 —, Y may be a fluorine atom; and only when A is —C(═O)—, Y may be a hydrogen atom. At least one hydrogen atom in each group of the aforementioned alkyl group, alkenyl group, alkynyl group, aryl group, alkylene group, alkenylene group, and alkynylene group may be substituted with a halogen atom.)

  本发明提供了一种非水电解质溶液，能够在高温下使用能量存储装置时改善电化学特性，并且在高温循环后能够抑制气体生成以及保持容量保留率，还提供了使用该非水电解质溶液的能量存储装置。所述非水电解质溶液包含溶解在非水溶剂中的电解质盐，该非水电解质溶液包含下述通式（I）所代表的苯酯化合物，以及能量存储装置。（在该式中，Rf代表具有1至6个碳原子的氟烷基；X代表卤素原子；p和q中的每一个是1至4的整数；以及（p+q）不超过5。A具有由—S(═O)2—、—C(═O)—、—C(═O)—O—、—C(═O)-L1-C(═O)—、—C(═O)-L2-P(═O)(OR)—O—或—P(═O)(OR)—O—表示的结构。Y代表氟原子、氢原子、烷基、烯基、炔基或芳基；L1代表烷基、烯基、炔基或直链键；L2代表烷基；R代表烷基。但是，仅当A为—S(═O)2—时，Y可以是氟原子；仅当A为—C(═O)—时，Y可以是氢原子。上述烷基、烯基、炔基、芳基、烷基、烯基和炔基中的每一组中至少一个氢原子可以被卤素原子取代。）
• [EN] INHIBITORS OF PRENYL-PROTEIN TRANSFERASE<br/>[FR] INHIBITEURS DE PRENYL-PROTEINE TRANSFERASE
  申请人：MERCK & CO INC

  公开号：WO2000001702A1

  公开（公告）日：2000-01-13

  The present invention is directed to peptidomimetic piperazine-containing macrocyclic compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

  本发明涉及一种肽类似物哌嗪含有大环化合物，其抑制异戊二烯-蛋白转移酶和致癌基因蛋白Ras的异戊二烯化。本发明还涉及包含本发明化合物的化疗组合物以及抑制异戊二烯-蛋白转移酶和致癌基因蛋白Ras的方法。
• [EN] A METHOD OF TREATING ENDOMETRIOSIS<br/>[FR] PROCEDE POUR TRAITER L'ENDOMETRIOSE
  申请人：MERCK & CO INC

  公开号：WO2000025789A1

  公开（公告）日：2000-05-11

  A method of preventing and treating endometriosis, uterine fibroids, dysfunctional uterine bleeding and endometrial hyperplasia is disclosed which is comprised of administering to a mammalian patient in need of such treatment an effective amount of a prenyl-protein transferase inhibitor.

  本发明揭示了一种预防和治疗子宫内膜异位症、子宫肌瘤、功能性子宫出血和子宫内膜增生的方法，包括向需要此类治疗的哺乳动物患者投予有效量的戊二酰基-蛋白转移酶抑制剂。
• [EN] INHIBITORS OF PRENYL-PROTEIN TRANSFERASE<br/>[FR] INHIBITEURS DE LA PRENYL-PROTEINE TRANSFERASE
  申请人：MERCK & CO INC

  公开号：WO2001017992A1

  公开（公告）日：2001-03-15

  The present invention is directed to compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

  本发明涉及抑制异戊二烯基-蛋白转移酶及癌基因蛋白Ras的异戊二烯基化的化合物。本发明还涉及包含本发明化合物的化疗组合物以及抑制异戊二烯基-蛋白转移酶及癌基因蛋白Ras的异戊二烯基化的方法。