mixed anhydride of benzoic acid and phenylacetic acid | 41085-80-7

• 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: mixed anhydride of benzoic acid and phenylacetic acid
• 英文别名: benzoic phenylacetic anhydride；benzoic-phenylacetic anhydride；benzoic acid phenylacetic acid-anhydride；Benzoesaeure-phenylessigsaeure-anhydrid；Benzoe-phenylessigsaeureanhydrid；(2-Phenylacetyl) benzoate
• CAS: 41085-80-7
• 化学式: C₁₅H₁₂O₃
• 分子量: 240.258
• InChiKey: GHFZBSWLFBCZEM-UHFFFAOYSA-N

物化性质

• 熔点：
  46-48 °C
• 沸点：
  138-139 °C(Press: 2 Torr)
• 密度：
  1.191±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  mixed anhydride of benzoic acid and phenylacetic acid 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 0.08h， 以84%的产率得到3,4-二苯基-5H-呋喃-2-酮
  参考文献：
  名称：

  优化氧化金催化的 P,N-双齿配体：羧酸有效分子间捕获 α-氧代金卡宾

  摘要：

  控制确认：P,N-双齿配体 ( L ) 的优化揭示了构象控制对于反应性 α-氧代金卡宾中间体的分子间捕获的重要性。因此，在温和的反应条件下，可以从易得的羧酸和末端炔烃高效且广泛地合成羧甲基酮。

  DOI：

  10.1002/anie.201301601
• 作为产物：
  描述：

  benzoyl-phenylacetyl peroxide 在 三乙基膦 作用下， 生成 mixed anhydride of benzoic acid and phenylacetic acid
  参考文献：
  名称：

  Horner; Jurgeleit, Justus Liebigs Annalen der Chemie, 1955, vol. 591, p. 138,151

  摘要：

  DOI：

文献信息

• The photochemistry of mixed anhydrides: a search for selectivity in photochemically initiated bond cleavage reactions
  作者：John H. Penn、Walter H. Owens

  DOI：10.1021/ja00054a012

  日期：1993.1

  A number of mixed anhydrides (RC(O)OC(O)R') have been synthesized for the purpose of exploring the regioselectivity of their photochemical reactions. The photochemical reaction products, quantum yields, and reaction rates have been determined. For those compounds containing no α-hydrogens, high regioselectivity is obtained upon irradiation and can be understood on the basis of the relative C-O bond

  为了探索其光化学反应的区域选择性，已经合成了许多混合酸酐（RC（O）OC（O）R'）。光化学反应产物、量子产率和反应速率已经确定。对于那些不含 α-氢的化合物，在辐照时可以获得高区域选择性，可以根据相对的 CO 键解离能来理解。反应可以通过分子内电子转移猝灭。对于含有α-氢原子的化合物，Norrish II型反应比相应的CO裂解反应快，导致区域选择性差
• Stereoselective Lewis base catalyzed formal 1,3-dipolar cycloaddition of azomethine imines with mixed anhydrides
  作者：Lena Hesping、Anup Biswas、Constantin G. Daniliuc、Christian Mück-Lichtenfeld、Armido Studer

  DOI：10.1039/c4sc02612h

  日期：——

  Stereoselective synthesis of pyrazolidinones via dipolar cycloaddition of azomethine imines with active esters under Lewis base catalysis is presented. The active esters are readily generated in situ from the corresponding acids. Products, which are obtained with excellent diastereocontrol and high enantioselectivity, contain along with the pyrazolidinone core also the tetrahydroisoquinoline structural

  提出了在路易斯碱催化下，通过偶氮甲碱亚胺与活性酯的偶极环加成反应立体选择性合成吡唑烷酮类化合物。活性酯很容易由相应的酸就地生成。获得的产品具有优异的非对映控制和高对映选择性，除吡唑烷酮核心外还含有四氢异喹啉结构基序。理论研究深入了解了正式环加成反应的机理。
• Hydroformylation process
  申请人：EXXON RESEARCH AND ENGINEERING COMPANY

  公开号：EP0071281A2

  公开（公告）日：1983-02-09

  This invention concerns a continuous hydroformylation process comprising reacting an olefinic compound with hydrogen and carbon monixide in the presence of a reaction mixture comprising (1) a rhodium-containing catalyst having no reactive halogen and having at least one ligand complexed with said rhodium, the ligand comprising a complex compound containing at least one diaryl phosphino alkyl group and wherein the number of such diaryl phosphino alkyl groups in complex association with said rhodium is at least 2, e.g., (Ph2PCH2CH3)3Rh(CO)H, and (2), a non-complexed ligand substantially all of which is a non-complexed compounds containing at least one diaryl phosphino alkyl group, e.g.. Ar2P(CH2)5PAr2 wherein the molar ratio of non-complexed ligand to rhodium is greater than 75:1 and wherein the ratio of the partial pressures of hydrogen to carbon monoxide is at least 3:1.

  本发明涉及一种连续加氢甲酰化工艺，包括使烯烃化合物与氢和一氧化碳在反应混合物存在下反应，该反应混合物包括(1)含铑催化剂，该催化剂不含活性卤素，且至少有一个配体与所述铑络合，该配体包括至少含有一个二芳基膦烷基的络合物，其中与所述铑络合的二芳基膦烷基的数目至少为2，例如，(Ph2PCH2CH3)3Rh(CO)H，和(2)非络合配体，该非络合配体基本上全部是含有至少一个二芳基膦烷基的非络合物、(Ph2PCH2CH3)3Rh(CO)H，以及(2)，基本上全部为含有至少一个二芳基膦烷基的非络合配体，如Ar2P(CH2)5PAr2，其中非络合配体与铑的摩尔比大于 75:1，氢与一氧化碳的分压比至少为 3:1。
• Mixed anhydrides: physical properties influenced by molecular structure
  作者：John H. Penn、Walter H. Owens、Jeffrey L. Petersen、Harry O. Finklea、Daniel A. Snider

  DOI：10.1021/jo00060a032

  日期：1993.4

  A series of mixed anhydrides has been prepared and characterized. The reduction potentials and the electronic absorption spectra show an interesting systematic variation which is dependent on the steric requirements of the substituents. X-ray structural results are consistent with theoretical calculations that predict structural variations which are also dependent on the size of the substituent at the anhydride terminus. Taken together, these data show that the relative molecular orbital energies, as influenced by the relative dihedral angle of the two anhydride carbonyl groups, are responsible for the observed changes in physical properties.
• Pasha; Rizwana, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005, vol. 44, # 2, p. 420 - 421
  作者：Pasha、Rizwana

  DOI：——

  日期：——