2-oxo-1-phenylpropane-1-sulfonic acid | 99179-77-8

• 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: 2-oxo-1-phenylpropane-1-sulfonic acid
• 英文别名: 2-Oxo-1-phenyl-propan-1-sulfonsaeure
• CAS: 99179-77-8
• 化学式: C₉H₁₀O₄S
• 分子量: 214.242
• InChiKey: RBJVEXQXWNJZRJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.380±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-oxo-1-phenylpropane-1-sulfonic acid 、 alkaline earth salt of/the/ methylsulfuric acid 生成 硫酸单乙酯 、 苯基丙酮
  参考文献：
  名称：

  v.Wacek; Kratzl, 1942, vol. 20, p. 108,110

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基-2-硝基-3-苯基环氧乙烷 在 sodium hydrogensulfite 作用下， 以 水 为溶剂， 反应 6.0h， 以92%的产率得到2-oxo-1-phenylpropane-1-sulfonic acid
  参考文献：
  名称：

  水中有硫亲核试剂的硝基环氧化物开环：α-黄嘌呤酮，β-酮砜和β-酮磺酸的合成。

  摘要：

  研究了硫代亲核试剂（如黄原酸钾，芳基亚磺酸钠和亚硫酸氢钠）在水中的硝基环氧开环。它为合成α-黄原基-α-芳基-2-丙烷（P2P-黄原酸酯衍生物），β-酮砜和β-酮磺酸提供了直接且绿色的途径。该方案的主要优点是高至优异的产率，在无催化剂的条件下在水中进行反应以及易于后处理。

  DOI：

  10.1039/d0ob00941e

文献信息

• [EN] SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS<br/>[FR] SYNTHESE D'ALCOOLS AMINOÉTHER SECONDAIRES A ENCOMBREMENT STERIQUE
  申请人：EXXONMOBIL RES & ENG CO

  公开号：WO2005082835A1

  公开（公告）日：2005-09-09

  Severely sterically hindered secondary aminoether alcohols are prepared by reacting organic carboxylic, organic carboxylic acid halides, acid anhydrides or a ketene with an alkyl, alkaryl or alkylhalo sulfonate to yield a sulfonic. Carboxylic anhydride compound which is then reacted with a dioxane to cleave the ring of the dioxane, yielding a cleavage product which cleavage product is then aminated with an alkylamine and hydrolyzed with base to yield the severely sterically hindered secondary aminoether alcohol.

  通过将有机羧酸、有机羧酸酰卤、酸酐或酮烯与烷基、烷基芳基或烷基卤代磺酸酯反应，制备严重立体阻碍的二级氨醚醇，产物为磺酸。然后将羧酸酐化合物与二氧六环反应，裂解二氧六环的环，产生一个裂解产物，该裂解产物然后与烷基胺进行胺化反应，并用碱水解，得到严重立体阻碍的二级氨醚醇。
• v. Wacek; Kratzl; v. Bezard, Chemische Berichte, 1942, vol. 75, p. 1348,1354
  作者：v. Wacek、Kratzl、v. Bezard

  DOI：——

  日期：——
• A Triple Mutant, K319N/H322Q/E325Q, of the Lactose Permease Cotransports H+ with Thiodigalactoside
  作者：J.L. Johnson、M.S.K. Lockheart、R.J. Brooker

  DOI：10.1007/s00232-001-0024-2

  日期：2001.6

  In a previous study, we characterized a lactose permease mutant (K319N/E325Q) that can transport H+ ions with sugar. This result was surprising because other studies had suggested that Glu-325 plays an essential role in H+ binding. To determine if the lactose permease contains one or more auxiliary H+ binding sites. we began with the K319N/E325Q strain, which catalyzes a sugar-dependent H+ leak, and isolated third site suppressor mutations that blocked the H+ leak. Three types of suppressors were obtained: H322Y, H322R, and M299I. These mutations blocked the H+ leak and elevated the apparent K-m value for lactose. The M299I and H322Y suppressors could still transport H+ with beta -D-thiodigalactoside (TDG), but the H322R strain appeared uncoupled for H+/sugar cotransport.Four mutant strains containing a nonionizable substitution at codon 322 (H322Q) were analyzed. None of these were able to catalyze uphill accumulation of lactose, however, all showed some level of substrate-induced proton accumulation. The level seemed to vary based on the substrate being analyzed (lactose or TDG). Most interestingly, a triple mutant, K319N/H322Q/E325Q, catalyzed robust H+ transport with TDG. These novel results suggest an alternative mechanism of lactose permease cation binding and transport, possibly involving hydronium ion (H3O+).
• SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS
  申请人：ExxonMobil Research and Engineering Company

  公开号：EP1718599A1

  公开（公告）日：2006-11-08
• EP1718599A4
  申请人：——

  公开号：EP1718599A4

  公开（公告）日：2008-06-25