2-溴-4,4-二甲基-3-戊酮 | 32278-29-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-溴-4,4-二甲基-3-戊酮
• 中文别名: 2,2-二甲基-4-溴-3-戊酮
• 英文名称: 4-bromo-2,2-dimethylpentan-3-one
• 英文别名: 4-bromo-2,2-dimethyl-3-pentanone；2-bromo-4,4-dimethyl-3-pentanone；4-Brom-2,2-dimethyl-pentan-3-on；Brom-2-dimethyl-4,4-pentanon-3；2,2-Dimethyl-4-brom-pentanon-(3)；Brom-methyl-pinacolon (2,2-Dimethyl-4-brom-pentan-3-on)；(α-Brom-aethyl)-tert.-butyl-keton；(1-Brom-aethyl)-tert.-butyl-keton
• CAS: 32278-29-8
• 化学式: C₇H₁₃BrO
• 分子量: 193.084
• InChiKey: DZHSIOPOJHOGKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  2-溴-4,4-二甲基-3-戊酮 在 methanol 作用下， 以 氘代四氢呋喃 、 氘代苯 为溶剂， 生成 2,2-二甲基-3-戊酮
  参考文献：
  名称：

  烷基锌烯醇盐的制备和反应

  摘要：

  DOI：

  10.1021/om00153a006
• 作为产物：
  描述：

  2,2-二甲基-3-戊醇 在 五溴化磷 、 铬酸 、 Petroleum ether 作用下， 生成 2-溴-4,4-二甲基-3-戊酮
  参考文献：
  名称：

  Faworski; Aschmarin, Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1912, vol. 44, p. 1374

  摘要：

  DOI：

文献信息

• A CONVENIENT SYNTHESIS OF α-BROMOKETONES FROM OLEFINS
  作者：Toshifumi Kageyama、Yoshimichi Tobito、Atsushi Katoh、Yoshio Ueno、Makoto Okawara

  DOI：10.1246/cl.1983.1481

  日期：1983.10.5

  α-Bromoketones are prepared in good yields by the reaction of olefins with sodium bromite in aqueous acetic acid at room temperature.

  α-溴酮通过烯烃与溴化钠在乙酸水溶液中在室温下反应制备，收率良好。
• High throughput synthesis of 2,3,6-trisubstituted-5,6-dihydroimidazo[2,1-b]thiazole derivatives
  作者：Yangmei Li、Marc Giulianotti、Richard A. Houghten

  DOI：10.1016/j.tetlet.2010.12.006

  日期：2011.2

  A facile approach to the synthesis of 2,3,6-trisubstituted-5,6-dihydroimidazo[2,1-b]thiazole was reported. A resin bound cyclic thiourea was formed by the treatment of a resin bound diamine with 1,1′-thiocarbonyldiimidazole, and then reacted with a α-haloketone to generate a resin bound isothiourea. HF treatment of the resin bound isothiourea resulted in the cleavage of the product and simultaneous

  报道了一种简便的合成 2,3,6-三取代-5,6-二氢咪唑并[2,1- b ]噻唑的方法。通过用1,1'-硫代羰基二咪唑处理树脂结合的二胺形成树脂结合的环状硫脲，然后与α-卤代酮反应生成树脂结合的异硫脲。树脂结合异硫脲的 HF 处理导致产物裂解并同时形成烯胺键。这导致以高产率和纯度形成2,3,6-三取代-5,6-二氢咪唑并[2,1- b ]噻唑。
• [EN] N-SUBSTITUTED PIPERIDINYL-IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS<br/>[FR] COMPOSES DE PIPERIDINYL-IMIDAZOPYRIDINE N-SUBSTITUES UTILISES COMME MODULATEURS DU RECEPTEUR 5-HT4
  申请人：PFIZER PHARMA

  公开号：WO2004026868A1

  公开（公告）日：2004-04-01

  This invention provides a compound of the formula (I): wherein Rl represents a hydrogen atom or a halogen atom; R2 represents a hydrogen atom, etc.; R3 represents an alkyl group having from 1 to 10 carbon atoms; said alkyl group in R3 is substituted by at least one substituent selected from the group consisting of substituents α ; said substituents α are selected from the group consisting of aryl groups, hydroxy groups, oxo groups, etc.; said aryl groups have 6 to 10 carbon atoms; said aryl groups are unsubstituted or substituted by at least one alkyl group having from 1 to 6 carbon atoms; said heterocyclic groups and heterocyclic moiety in heterocycliccarbonyl groups are 5- to 10-membered cyclic groups containing from 1 to 4 heteroatoms selected from the group consisting of nitrogen atoms, etc.; or a pharmaceutically acceptable amide of such compound, or a pharmaceutically acceptable ester of such compound, and pharmaceutically acceptable salts thereof. These compounds have 5-HT4 receptor binding activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans. This invention also provides a pharmaceutical composition comprising the above compound.

  这项发明提供了一个化合物的结构式(I)：其中R1代表氢原子或卤原子；R2代表氢原子，等等；R3代表具有1至10个碳原子的烷基基团；R3中的烷基基团被来自α取代基组的至少一个取代基所取代；所述α取代基选自芳基、羟基、酮基等组成的组；所述芳基含有6至10个碳原子；所述芳基未取代或被具有1至6个碳原子的至少一个烷基基团所取代；所述杂环基团和杂环基团中的杂环基在杂环羰基中是含有1至4个来自氮原子等组成的杂原子的5至10元环基团；或者是该化合物的药学上可接受的酰胺，或者是该化合物的药学上可接受的酯，以及其药学上可接受的盐。这些化合物具有5-HT4受体结合活性，因此对于哺乳动物，特别是人类的胃食管反流病、非溃疡性消化不良、功能性消化不良、肠易激综合征等的治疗是有用的。该发明还提供了包含上述化合物的药物组合物。
• Addition regioselective d'enolates de cetones aux α-enones
  作者：J. Bertrand、L. Gormchon、P. Mahoni

  DOI：10.1016/0040-4020(84)85094-2

  日期：1984.1

  Regio and stereochemistry in the addition of preformed magnesium and lithium ketone enolates (1 to 8) to α-enones (10 and 11) have been examined. When the substitution degree of the enolate is increased the formation of δ-diketone is favoured; nevertheless a good efficiency in the synthesis of the γ-ethylenic β-ketols (1-2 addition) is obtained via bromomagnesium enolates (EMgX) under kinetic conditions

  已经研究了在α-烯酮（10和11）中添加预先形成的镁和锂酮烯醇酸酯（1至8）的区域和立体化学。当烯醇化物的取代度增加时，倾向于形成δ-二酮；反之，则增加。然而，在动力学条件下通过溴化镁烯醇盐（EMgX）获得了合成γ-烯属β-酮醇的良好效率（1-2加成）。烯醇锂（ELi），主要是烯醇镁（E 2 MgX）优先提供迈克尔加成。通常观察到从1-2加到1-4的可逆性，但使用EMgBr或E 2时，非对映异构体δ-diLetones的立体化学（如果有）镁为起始烯醇化物。
• SUBSTITUTED BENZIMDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS
  申请人：PLAYER Mark R.

  公开号：US20120202856A1

  公开（公告）日：2012-08-09

  The present invention is directed to benzimidazole derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by TRP M8, including for example, inflammatory pain, inflammatory hyperalgesia, inflammatory hypersensitivity condition, neuropathic pain, neuropathic cold allodynia, inflammatory somatic hyperalgesia, inflammatory visceral hyperalgesia, cardiovascular disease aggravated by cold and pulmonary disease aggravated by cold.

  本发明涉及苯并咪唑衍生物，包含它们的药物组合物以及它们在治疗由TRP M8调节的疾病和症状中的应用，例如炎症性疼痛、炎症性过敏症、炎症性过敏性疾病、神经病性疼痛、神经性寒冷触痛、炎症性体部过敏症、炎症性内脏过敏症、受冷加重的心血管疾病和受冷加重的肺部疾病。