1,1-dimethyl-3-<4-(chlorosulfonyl)phenyl>urea | 36627-43-7

• 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: 1,1-dimethyl-3-<4-(chlorosulfonyl)phenyl>urea
• 英文别名: 1,1-dimethyl-3-[4-(chlorosulfonyl)phenyl]urea；4-(3,3-dimethylureido)benzenesulfonyl chloride；4-(3,3-Dimethyl-ureido)-benzenesulfonyl chloride；4-(dimethylcarbamoylamino)benzenesulfonyl chloride
• CAS: 36627-43-7
• 化学式: C₉H₁₁ClN₂O₃S
• 分子量: 262.717
• InChiKey: DKOVCBHYOXFPRM-UHFFFAOYSA-N

物化性质

• 沸点：
  444.5±37.0 °C(Predicted)
• 密度：
  1.436±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-dimethyl-3-<4-(chlorosulfonyl)phenyl>urea 以51%的产率得到
  参考文献：
  名称：

  AKHTAR N.; BADAMI N. V.; CREMLYN J. W.; GOULDING K. J., PHOSPH. AND SULFUR,

  摘要：

  DOI：
• 作为产物：
  描述：

  非草隆 、 氯磺酸 以87%的产率得到
  参考文献：
  名称：

  CHIVERS G. E.; CREMLYN R. J.; GUY R.; HONEYMAN R.; REYNOLDS P., AUSTRAL. J. CHEM. , 1975, 28, NO 2, 413-419

  摘要：

  DOI：

文献信息

• Turnover control of photosystem II: use of redox-active herbicides to form the S3 state
  作者：Jeffrey R. Bocarsly、Gary W. Brudvig

  DOI：10.1021/ja00051a006

  日期：1992.12

  0-4). While methods have been found to manipulate the system into S[sub 1] and S[sub 2] in high yields, efficient production of the S[sub 3] state in good yield at high concentration has not yet been achieved. Previous methods have suffered from the requirement of low protein concentration so that actinic flashes are saturating; the use of temperature to control S-state advancement under continuous illumination

  光系统 II 的 O[sub 2] 演化中心包含一个活性位点四锰氧簇，催化两个水分子的四电子氧化为双氧，同时产生四个 H[sup +] 和四个电子。在催化转化期间，锰氧簇逐步通过五个中间氧化态，称为 S[sub i] 态 (i = 0-4)。尽管已发现以高产率将系统操纵成S[sub 1]和S[sub 2]的方法，但尚未实现在高浓度下以良好产率有效生产S[sub 3]态。以前的方法需要低蛋白质浓度，因此光化闪光会饱和。在连续光照下使用温度来控制 S 状态的推进，这会导致 S 状态加扰；或使用与 Q[sub B] 位点结合并将系统限制为一次周转的除草剂。作者在此描述了一种通过使用与 Q[sub B] 位点结合的电子接受除草剂在光系统 II 的高浓度样品中高产产生 S[sub 3] 态的方法。原则上，氧化还原活性除草剂可用于将 S 状态循环限制为任何所需的周转次数，前提是使用适当的除草剂。这项工作不仅对光系统
• Low-Temperature Turnover Control of Photosystem II Using Novel Metal-Containing Redox-Active Herbicides
  作者：Laba Karki、K. V. Lakshmi、Veronika A. Szalai、Gary W. Brudvig

  DOI：10.1021/ja994138x

  日期：2000.5.1

  A novel approach of using metal-containing redox-active herbicides to prepare and study the light-induced intermediates of the photosystern II (PSII) photocycle is described. The redox-active herbicides feature an iron(III) ethylenediuninetetracetate [Fe-III-(EDTA)] electron-acceptor group linked to a Q(B)-site binding dimethylphenylurea moiety by a hydrocarbon spacer. Like the nitroxyl-based redox-active herbicides previously described (Bocarsly, J. R.; Brudvig, G. W. J. Am. Chem. Sec. 1992, 114, 9762-9767), metal-containing herbicides accept electrons from the donor side of PSII while bound to the Q(B) site and restrict the S-state cycling to two stable charge separations. The use of Fe-III-(EDTA) as an electron acceptor allows turnover at low temperatures. EPR studies of PSII upon continuous illumination at 225 K with 0.7 mM of redox-active herbicide, Fe-III-(EDTA) linked by an ethane spacer to a dimethylphenyl urea group (2), produced a stable two-step S-1 to S-3 advance of the O-2-evolving complex (OEC) and a stoichiometric reduction of the Fe-III-(EDTA) moiety of the herbicide, while a control sample with 0.02 InM DCMU [3-(3,4-dichlorophenyl)-1,1-dimethyl-urea] and 0.7 mM of 4 exhibited only a one-step SI to St advance of the OEC without significant reduction of the Fe-III-(EDTA) moiety of the herbicide. Similar EPR results were obtained for 7, Fe-III-(EDTA) linked Ca the dimethylphenylurea group by a pentane spacer. O-2-evolution inhibition studies show that appending the Fe-III-(EDTA) moiety to the phenylurea herbicide causes a significant decrease in the binding affinity compared to that of DCMU. On the basis of O-2-evolution studies with various herbicide derivatives and different PSII sample types, the observed decrease in binding affinities is attributed to the degree of accessibility of the Q(B)-binding pocket to the herbicides and to electrostatic and hydrophilicity factors. The present study describes the use of novel metal-containing herbicides in studying long-range electron transfer in PSII and in trapping photogenerated two-electron oxidized intermediate states of the O-2-evolving complex.
• CN116903559
  申请人：——

  公开号：——

  公开（公告）日：——