Carbonic acid, 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl methyl ester | 122890-41-9

• 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: Carbonic acid, 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl methyl ester
• 英文别名: [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] methyl carbonate
• CAS: 122890-41-9
• 化学式: C₁₇H₁₈O₄
• 分子量: 286.328
• InChiKey: JZLKPFXJPGJHHY-UHFFFAOYSA-N

物化性质

• 沸点：
  428.4±37.0 °C(Predicted)
• 密度：
  1.168±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  双酚A 、 碳酸二甲酯 在 TiO₂/SBA-15 作用下， 生成 Carbonic acid, 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl methyl ester
  参考文献：
  名称：

  Studies on the carboxymethylation and methylation of bisphenol A with dimethyl carbonate over TiO2/SBA-15

  摘要：

  Carboxymethylated species were selectively synthesized from dimethyl carbonate (DMC) and bisphenol A (BPA) over TiO2/SBA-15. On the basis of catalyst characterization by means of XRD, FT-IR, HPLC and GC-MS, the relations between catalytic performance and catalyst properties were discussed. Si-O-Ti was active sites for reaction, and the interaction mode between Ti-O-Si and DMC was main factor to determine carboxymethylation and methylation. When DMC was attacked by Ti-O-Si on two oxygen atoms of CH3-O moiety, BPA attacked carbonyl carbon to form carboxymethylated products. If the interaction occurs through the oxygen of C=O moiety, BPA attacked methyl carbon to form methylated products. Chemisorbed H2O over TiO2/SBA-15 made DMC to act as methylating agent. After chemisorbed H2O was removed, carboxymethylated species of two-methylcarbonate-ended-BPA (DmC(1)) and one-methylcarbonate-ended-BPA (MmC(1)) were selectively synthesized. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2009.08.027

文献信息

• Chemical Upcycling of Waste Poly(bisphenol A carbonate) to 1,4,2‐Dioxazol‐5‐ones and One‐Pot C−H Amidation
  作者：Hyun Jin Jung、Sora Park、Hyun Sub Lee、Hyun Gyu Shin、Yeji Yoo、Ek Raj Baral、Jun Hee Lee、Jaesung Kwak、Jeung Gon Kim

  DOI：10.1002/cssc.202100885

  日期：2021.10.5

  poly(bisphenol A carbonate) (PC) was achieved in this study with hydroxamic acid nucleophiles, giving rise to synthetically valuable 1,4,2-dioxazol-5-ones and bisphenol A. Using 1,5,7-triazabicyclo[4.4.0]-dec-5-ene (TBD), non-green carbodiimidazole or phosgene carbonylation agents used in conventional dioxazolone synthesis were successfully replaced with PC, and environmentally harmful bisphenol A was

  本研究中使用异羟肟酸亲核试剂实现了聚（双酚 A 碳酸酯）（PC）的化学升级，产生了具有合成价值的 1,4,2-二恶唑-5-酮和双酚 A。使用 1,5,7-三氮杂双环传统二恶唑酮合成中使用的[4.4.0]-dec-5-烯(TBD)、非绿色碳二咪唑或光气羰基化剂成功地被PC替代，同时回收了对环境有害的双酚A。杂异羟肟酸表现出良好的效率和绿色化学特性，具有广阔的合成应用范围。此外，还开发了一种绿色芳基酰胺合成工艺，包括从聚碳酸酯到二恶唑酮的一锅解聚，然后是铑催化的 CH 酰胺化，包括使用光盘的克级实例。
• Study on the reaction between bisphenol A and dimethyl carbonate over organotin oxide
  作者：Xiaolong He、Zhenhuan Li、Kunmei Su、Bowen Cheng、Jun Ming

  DOI：10.1016/j.catcom.2012.12.017

  日期：2013.3

  Organotin oxide was used to catalyze the reaction between BPA (bisphenol A) and DMC (dimethyl carbonate), and Ph2SnO (diphenyltin oxide) displays the excellent catalytic performance in transesterification and O-methylation. However, Bu2SnO (dibutyltin oxide), (PhCH2)2SnO (dibenzyltin oxide) and (C6H11)2SnO (dicyclohexyltin oxide) exhibited weaker catalytic activity but higher selectivity for C-methylation

  有机锡氧化物被用来催化BPA（双酚A）和DMC（碳酸二甲酯）之间的反应，Ph 2 SnO（二苯基氧化锡）在酯交换反应和O-甲基化反应中表现出优异的催化性能。但是，Bu 2 SnO（二丁基氧化锡），（PhCH 2）2 SnO（二苄基氧化锡）和（C 6 H 11）2 SnO（二环己基氧化锡）表现出较弱的催化活性，但对形成C-甲基化产物的选择性较高。Ph 2之间的π–π函数SnO和BPA为它们的相互作用提供了更多机会，而苯环和Sn之间的π-d相互作用导致催化剂在酯交换和O-甲基化方面具有更高的活性。在Ph 2 SnO上形成O-甲基化产物的原因是酯交换产物的分解，而不是BPA与DMC的直接甲基化。
• [EN] METHOD FOR PRODUCING POLYCARBONATE OLIGOMERS<br/>[FR] PROCÉDÉ DE PRODUCTION D'OLIGOMÈRES DE POLYCARBONATE
  申请人：SHELL OIL CO

  公开号：WO2017112625A1

  公开（公告）日：2017-06-29

  A process for producing an oligomer comprising contacting a dialkyl carbonate and a dihydroxy compound in a reaction zone in the presence of an oligomerization catalyst under oligomerization conditions to form the oligomer wherein the molar ratio of dihydroxy compound to dialkyl carbonate in the reaction zone is at least 2:1.

  一种生产寡聚体的方法，包括在寡聚化催化剂的存在下，在反应区内将二元酸酯和二羟基化合物接触，以在寡聚化条件下形成寡聚体，其中反应区内二羟基化合物与二元酸酯的摩尔比至少为2:1。
• IONEHDA, XARUYUKI;FUKAVA, ISABURO
  作者：IONEHDA, XARUYUKI、FUKAVA, ISABURO

  DOI：——

  日期：——
• TULNSTRA, HENDRIK E.;RAND, CYNTHIA L.;WOO, EDMUND P.
  作者：TULNSTRA, HENDRIK E.、RAND, CYNTHIA L.、WOO, EDMUND P.

  DOI：——

  日期：——