4-bromo-1-(1-methoxy-1-methylethoxymethyl)benzene | 1201913-76-9

• 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-bromo-1-(1-methoxy-1-methylethoxymethyl)benzene
• 英文别名: 1-Bromo-4-(2-methoxypropan-2-yloxymethyl)benzene
• CAS: 1201913-76-9
• 化学式: C₁₁H₁₅BrO₂
• 分子量: 259.143
• InChiKey: MLRXPPGTIHVSQK-UHFFFAOYSA-N

物化性质

• 沸点：
  272.7±20.0 °C(Predicted)
• 密度：
  1.290±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲氧基丙烯 、 4-溴苄醇 在 4-甲基苯磺酸吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 以100%的产率得到4-bromo-1-(1-methoxy-1-methylethoxymethyl)benzene
  参考文献：
  名称：

  The regioselective bromine-lithium exchange reaction of alkoxymethyldibromobenzene: A new strategy for the synthesis of tofogliflozin as a SGLT2 inhibitor for the treatment of diabetes

  摘要：

  The regioselective bromine-lithium exchange reaction of 2,4-dibromo-1-(1-methoxy-1methylethoxymethyl)benzene (2), which resulted in optimized selectivity of 220:1, is described. Applying this method to the synthesis of tofogliflozin (1) as a SGLT2 inhibitor is also described. Selective and sequential metalation-functionalization of 2 led to the synthesis of 1 in 47% overall yield. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2016.12.028

文献信息

• CRYSTAL OF SPIROKETAL DERIVATIVES AND PROCESS FOR PREPARATION OF SPIROKETAL DERIVATIVES
  申请人：Murakata Masatoshi

  公开号：US20110306778A1

  公开（公告）日：2011-12-15

  The present invention provides a process for preparing a spiroketal derivative, via an intermediate represented by Formula (VI): wherein variable groups and numbers are as defined in the specification, which can be produced from dihalobenzene derivatives in one pot reaction.

  本发明提供了一种通过公式（VI）所表示的中间体制备螺内酯衍生物的方法，其中变量组和数字如规范中所定义，该中间体可以从二卤苯衍生物中在一个反应釜中制备。
• CRYSTAL OF SPIROKETAL DERIVATIVE, AND PROCESS FOR PRODUCTION THEREOF
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP2308886A1

  公开（公告）日：2011-04-13

  The present invention provides a process for preparing a spiroketal derivative, via an intermediate represented by Formula (VI): wherein variable groups and numbers are as defined in the specification, which can be produced from dihalobenzene derivatives in one pot reaction.

  本发明提供了一种通过式（VI）代表的中间体制备螺酮衍生物的工艺： 其中可变基团和数字如说明书中所定义，可在一锅反应中从二卤代苯衍生物制得。
• CRYSTALLINE FORMS OF (1S,3'R,4'S,5'S,6'R)-6-[(4-ETHYLPHENYL)METHYL]-3',4',5',6'-TETRAHYDRO-6'- (HYDROXYMETHYL)SPIRO[ISOBENZOFURAN-1(3H) 2'-[2H]PYRAN]-3',4',5'-TRIOL
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP3170834A1

  公开（公告）日：2017-05-24

  The present invention relates to crystalline forms of the compound represented by Formula (XI), which is useful for preventing or treating diabetes.

  本发明涉及由式（XI）代表的化合物的结晶形式，它可用于预防或治疗糖尿病。
• PROCESS FOR THE PRODUCTION OF A SPIROKETAL DERIVATIVE
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP2308886B1

  公开（公告）日：2016-12-07
• CRYSTALLINE FORMS OF (1S,3'R,4'S,5'S,6'R)-6-[(4-ETHYLPHENYL)METHYL]-3',4',5',6'-TETRAHYDRO-6'-(HYDROXYMETHYL)SPIRO[ISOBENZOFURAN-1(3H) 2'-[2H]PYRAN]-3',4',5'-TRIOL
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP3170834B1

  公开（公告）日：2022-02-09