3,3-二溴丁烷-2-酮 | 2648-69-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,3-二溴丁烷-2-酮
• 英文名称: 3,3-dibromobutan-2-one
• 英文别名: 3,3-dibromo-butan-2-one；3,3-Dibrom-butan-2-on；Methyl-(α.α-dibrom-aethyl)-keton；3,3-dibromo-butanone；Methyl-α,α-dibromaethylketon；3,3-Dibrom-butanon-(2)；2-Butanone, 3,3-dibromo-
• CAS: 2648-69-3
• 化学式: C₄H₆Br₂O
• 分子量: 229.899
• InChiKey: DNVZPZWJCRLJFI-UHFFFAOYSA-N

物化性质

• 沸点：
  194.55°C (rough estimate)
• 密度：
  1.8406 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  3,3-二溴丁烷-2-酮 在 硫酸 、 水 作用下， 生成 2,3-丁二酮
  参考文献：
  名称：

  Faworski, Journal fur praktische Chemie (Leipzig 1954), 1913, vol. <2>88, p. 658

  摘要：

  DOI：
• 作为产物：
  描述：

  丁酮 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 生成 3,3-二溴丁烷-2-酮
  参考文献：
  名称：

  .alpha.-Halogenation of certain ketones

  摘要：

  DOI：

  10.1021/jo00442a017

文献信息

• Acetate-catalyzed Bromination and Exchange Reactions of 2-Butanone
  作者：J. W. Thorpe、J. Warkentin

  DOI：10.1139/v72-514

  日期：1972.10.1

  Products from bromination of 2-butanone in an aqueous acetate buffer were studied in order to compare the regiochemistry of monobromination with that of deuterium exchange. The good agreement found...

  研究了 2-丁酮在醋酸盐缓冲液中溴化的产物，以比较单溴化与氘交换的区域化学。好协议发现...
• Silica gel catalyzed α-bromination of ketones using N-bromosuccinimide: An easy and rapid method
  作者：Bodireddy Mohan Reddy、Velpula Venkata Ramana Kumar、Nallagondu Chinna Gangi Reddy、Siripragada Mahender Rao

  DOI：10.1016/j.cclet.2013.09.014

  日期：2014.1

  An easy and rapid method for the alpha-bromination of ketones using N-bromosuccinimide (NBS) catalyzed by silica gel in methanol under reflux conditions was developed. The expected products were formed in excellent isolated yields within a short period of time (5-20 min). Major advantages of the present procedure include use of inexpensive and readily available catalyst, exclusion of pre- and post-chemical treatment of catalyst and use of methanol as solvent instead of ethers and chlorinated solvents. (C) 2013 Nallagondu Chinna Gangi Reddy. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
• Rationally Simplified Bistramide Analog Reversibly Targets Actin Polymerization and Inhibits Cancer Progression <i>in Vitro</i> and <i>in Vivo</i>
  作者：Syed Alipayam Rizvi、Song Liu、Zhonglei Chen、Colleen Skau、Matthew Pytynia、David R. Kovar、Steven J. Chmura、Sergey A. Kozmin

  DOI：10.1021/ja101811x

  日期：2010.6.2

  We describe structure-based design and chemical synthesis of a simplified analog of bistramide A, which potently and reversibly binds monomeric actin with a K(d) of 9.0 nM, depolymerizes filamentous actin in vitro and in A549 (nonsmall cell lung cancer) cells, inhibits growth of cancer cell lines in vitro at submicromolar concentrations, and significantly suppresses proliferation of A549 cells in a nude mice tumor xenograft model in terms of both tumor growth delay and average tumor volume. This study provides a conceptual framework for the design and development of new antiproliferative compounds that target cytoskeletal organization of cancer cells in vivo by a combination of reversible G-actin binding and effective F-actin severing.
• Photodetachment of electrons from enolate anions. Gas phase electron affinities of enolate radicals
  作者：Albert H. Zimmerman、Kenneth J. Reed、John I. Brauman

  DOI：10.1021/ja00464a018

  日期：1977.10
• Griesbaum; Brueggemann, Chemische Berichte, 1969, vol. 102, p. 2484
  作者：Griesbaum、Brueggemann

  DOI：——

  日期：——

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