4-bromo-2,5-dimethyl-hexan-3-one | 124258-29-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-bromo-2,5-dimethyl-hexan-3-one
• 英文别名: 4-Brom-2,5-dimethyl-hexan-3-on；4-Bromo-2,5-dimethyl-3-hexanone；4-bromo-2,5-dimethylhexan-3-one
• CAS: 124258-29-3
• 化学式: C₈H₁₅BrO
• 分子量: 207.111
• InChiKey: SVZQNMALBABBQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-bromo-2,5-dimethyl-hexan-3-one 、 sodium methylate 生成 methyl 2-isopropyl-3-methylbutanoate
  参考文献：
  名称：

  FURUHATA, AKIMICHI;HIRANO, MASACHIKA;FUJIMOTO, IZUMI;MATSUI, MASANAO, AGR. AND BIOL. CHEM., 51,(1987) N 6, 1633-1640

  摘要：

  DOI：
• 作为产物：
  描述：

  異丁偶姻 在 三溴化磷 作用下， 生成 4-bromo-2,5-dimethyl-hexan-3-one
  参考文献：
  名称：

  α-Halo Ketones. V. The Preparation, Metathesis and Rearrangement of Certain α-Bromoketones

  摘要：

  DOI：

  10.1021/ja01152a103

文献信息

• Antiallergic and antiulcer
  申请人：Pfizer Inc.

  公开号：US04423048A1

  公开（公告）日：1983-12-27

  Antiallergy and antiulcer agents having the formula (I), ##STR1## and their pharmaceutically acceptable salts, wherein R.sub.1 and R.sub.2 taken separately are each hydrogen or lower alkyl; and R.sub.1 and R.sub.2 taken together are alkylene of 3-9 carbon atoms or phenylalkylene of 9-11 carbon atoms, with the proviso that the ring so formed is between 5- and 8-membered; acids of the formula (II), ##STR2## wherein R.sub.1 and R.sub.2 are as defined above and R.sub.3 is hydrogen, which are useful as intermediates for compounds of the formula (I), but in many instances also possess the same useful biological activity as do formula I compounds; and intermediates of the formula II wherein R.sub.1 and R.sub.2 are defined as above, and R.sub.3 is alkyl of 1 to 4 carbon atoms, carbalkoxy of 2 to 5 carbon atoms, carbophenoxy or carbobenzoxy, are also described.

  具有以下公式（I）的抗过敏和抗溃疡剂及其药学上可接受的盐，其中R.sub.1和R.sub.2分别为氢或低碳基；而R.sub.1和R.sub.2在一起则为3-9个碳原子的烷基或9-11个碳原子的苯基烷基，但所形成的环在5-8个成员之间；具有以下公式（II）的酸，其中R.sub.1和R.sub.2如上所定义，而R.sub.3为氢，这些酸对于公式（I）化合物的中间体是有用的，但在许多情况下，它们也具有与公式I化合物相同的有用生物活性；还描述了公式II的中间体，其中R.sub.1和R.sub.2如上所定义，而R.sub.3为1-4个碳原子的烷基，2-5个碳原子的羧基烷基，羧基苯氧基或羧基苯甲氧基。
• 1-Oxo-1H-thiazolo[3,2-a]pyrimidine-2-carboxamides
  申请人：Pfizer Inc.

  公开号：US04414388A1

  公开（公告）日：1983-11-08

  Antiallergy and antiulcer agents having the formula (I), ##STR1## and their pharmaceutically acceptable salts, wherein R.sub.1 and R.sub.2 taken separately are each hydrogen or lower alkyl; and R.sub.1 and R.sub.2 taken together are alkylene of 3-9 carbon atoms or phenylalkylene of 9-11 carbon atoms, with the proviso that the ring so formed is between 5- and 8-membered; acids of the formula (II), ##STR2## wherein R.sub.1 and R.sub.2 are as defined above and R.sub.3 is hydrogen, which are useful as intermediates for compounds of the formula (I), but in many instances also possess the same useful biological activity as do formula I compounds; and intermediates of the formula II wherein R.sub.1 and R.sub.2 are defined as above, and R.sub.3 is alkyl of 1 to 4 carbon atoms, carbalkoxy of 2 to 5 carbon atoms, carbophenoxy or carbobenzoxy, are also described.

  具有以下式子（I）的抗过敏和抗溃疡剂，以及它们的药学上可接受的盐：##STR1## 其中R.sub.1和R.sub.2分别为氢或低碳基；而R.sub.1和R.sub.2在一起则为3-9个碳原子的烷基或9-11个碳原子的苯基烷基，但所形成的环在5-8个成员之间；式子（II）的酸：##STR2## 其中R.sub.1和R.sub.2如上所定义，而R.sub.3为氢，这些酸是化合物（I）的中间体，但在许多情况下也具有与化合物（I）相同的有用生物活性；还描述了式子II的中间体，其中R.sub.1和R.sub.2如上所定义，而R.sub.3为1-4个碳原子的烷基，2-5个碳原子的羰基烷氧基，羰基苯氧基或羰基苯甲氧基。
• Furuhata, Akimichi; Hirano, Masachika; Fujimoto, Izumi, Agricultural and Biological Chemistry, 1987, vol. 51, # 6, p. 1633 - 1640
  作者：Furuhata, Akimichi、Hirano, Masachika、Fujimoto, Izumi、Matsui, Masano

  DOI：——

  日期：——
• FURUHATA, AKIMICHI;HIRANO, MASACHIKA;FUJIMOTO, IZUMI;MATSUI, MASANAO, AGR. AND BIOL. CHEM., 51,(1987) N 6, 1633-1640
  作者：FURUHATA, AKIMICHI、HIRANO, MASACHIKA、FUJIMOTO, IZUMI、MATSUI, MASANAO

  DOI：——

  日期：——
• US4321372A
  申请人：——

  公开号：US4321372A

  公开（公告）日：1982-03-23