1-Bromo-3-ethyl-4-pentanone | 66760-26-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Bromo-3-ethyl-4-pentanone
• 英文别名: 1-Brom-3-ethylpentan-4-on；1-bromo-3-acetylpentane；5-bromo-3-ethyl-pentan-2-one；5-Bromo-3-ethylpentan-2-one
• CAS: 66760-26-7
• 化学式: C₇H₁₃BrO
• 分子量: 193.084
• InChiKey: KXVSEIVCMYHSHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  4
• 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

反应信息

• 作为反应物：
  描述：

  1-Bromo-3-ethyl-4-pentanone 以 甲苯 为溶剂， 生成 (E)-3-Ethyl-6-((3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-hept-5-en-2-one
  参考文献：
  名称：

  Utility of the Wittig reaction for the construction of side chains of steroids starting from pregnenolone

  摘要：

  DOI：

  10.1021/jo01336a005
• 作为产物：
  描述：

  3-Acetyl-3-ethyloxolan-2-one 在 氢溴酸 作用下， 以 水 为溶剂， 以66%的产率得到1-Bromo-3-ethyl-4-pentanone
  参考文献：
  名称：

  Vaultier, M.; Lambert, P. H.; Carrie, R., Bulletin de la Societe Chimique de France, 1986, # 1, p. 83 - 92

  摘要：

  DOI：

文献信息

• Bicyclic compounds and compostions as PDF inhibitors
  申请人：Molteni Valentina

  公开号：US20050197326A1

  公开（公告）日：2005-09-08

  This invention is directed to novel bicyclic compounds, to the uses of these compounds in various medicinal applications, including treating disorders amenable to treatment by peptidyl deformylase inhibitors such as treatment of bacterial infections, and to pharmaceutical compositions comprising these compounds.

  本发明涉及新型双环化合物，以及这些化合物在各种医学应用中的用途，包括治疗适用于肽脱甲基酰基酶抑制剂治疗的疾病，如细菌感染的治疗，并涉及包含这些化合物的制药组合物。
• Dye-sensitized photooxygenation of 2,3-dihydrothiophenes: formation of stable 1,2-dioxetanes from 4,5-dialkyl-substituted derivatives
  作者：Klaus Gollnick、Karen Knutzen-Mies

  DOI：10.1021/jo00012a041

  日期：1991.6

  Singlet oxygen reacts with 4,5-dimethyl- (1a), 4-ethyl-5-methyl- (1b), and 4-isopropyl-5-methyl-2,3-dihydrothiophene (1c) to give 1,2-dioxetanes 2a-c in high yields (> 90%). 2a-c represent the first examples of sulfur-substituted dioxetanes that could be isolated. Less than 5% of allylic hydroperoxides 3a, 4a, and 3b, identified by their H-1 NMR spectra, and less than 5% of S-oxides 5a-c were formed in competing ene reactions and sulfoxide-producing steps, respectively. Due to its decreased rigidity, dioxetane 2a is less stable than its oxygen counterpart. Increased flexibility of dioxetanes derived from dihydrothiophenes and dihydrothiopyrans, as compared to those derived from dihydrofurans and dihydropyrans, causes dioxetanes 9 and 16, obtained from 4-carbomethoxy-5-methyl-2,3-dihydrothiophene (8) and 5,6-dimethyl-3,4-dihydro-2H-thiopyran (14), to cleave into dicarbonyl compounds readily at low temperatures. Sulfur-substituted allylic hydroperoxides are also less stable than their oxygen counterparts. Formation of the expected endocyclic allylic hydroperoxides 3a, 3b, and 10 is inferred from the appearance of their H2O2 elimination products, thiophenes 7a, 7b and 13, respectively.
• Asymmetric induction in the nucleophilic cyclopropane ring cleavage reaction with vitamin B12s
  作者：Hisanobu. Ogoshi、Yasuaki. Kikuchi、Taro. Yamaguchi、Hiroo. Toi、Yasuhiro. Aoyama

  DOI：10.1021/om00153a025

  日期：1987.10.1
• Leroux,Y.; Normant,H., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1967, vol. 265, p. 1472 - 1474
  作者：Leroux,Y.、Normant,H.

  DOI：——

  日期：——
• US7253164B2
  申请人：——

  公开号：US7253164B2

  公开（公告）日：2007-08-07