1,3-diphenylpropane-1,3-diol diacetate | 57786-91-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1,3-diphenylpropane-1,3-diol diacetate
• 英文别名: 1,3-Diphenyl-propandiol-1,3-diacetat；1,3-Diphenyl-1,3-Diacetoxy-propan；1,3-Diphenyl-1,3-propandiol-diacetat；1,3-diphenyl-1,3-propandiol Diacetate；(3-acetyloxy-1,3-diphenylpropyl) acetate
• CAS: 57786-91-1
• 化学式: C₁₉H₂₀O₄
• 分子量: 312.365
• InChiKey: AVLXFLSBQMGKIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-diphenylpropane-1,3-diol diacetate 在 sodium hydroxide 作用下， 反应 24.0h， 生成 1,3-二苯基-1,3-二羟基丙烷
  参考文献：
  名称：

  Enzyme catalysed resolution of 1,3-diarylpropan-1,3-diols

  摘要：

  Candida Rugosa Lipase (AY 30, Amano) is shown to be a very efficient catalyst for the resolution of enantiomeric 1,3-diaryl-1,3-diols by means of the transesterification reaction using vinyl acetate as an acyl donor. This enzyme also exerts a great diasteroselectivity and a pronounced regioselectivity in the monoacylation reaction of these diols.

  DOI：

  10.1016/0957-4166(95)00212-8
• 作为产物：
  描述：

  二苯甲酰基甲烷 在 4-二甲氨基吡啶 、 sodium tetrahydroborate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 1,3-diphenylpropane-1,3-diol diacetate
  参考文献：
  名称：

  Intrazeolite Photochemistry. 14. Photochemistry of α,ω-Diphenyl Allyl Cations within Zeolites

  摘要：

  1,3-Diphenylpropenylium (DP3(+)) and 1,5-diphenylpentadienylium (DP5(+)) ions have been generated within acid ZSM-5 and mordenite zeolites as persistent species by adsorption of alpha,omega-disubstituted alpha,omega-diphenylalkanes. It was found that besides alpha,omega-diacetates, alpha,omega-dichlorides and alpha,omega-diols are also convenient precursors, Irradiation of these allylic cations embedded within zeolites led to cis-trans isomerization as the only observable process. Molecular modeling suggests that there is enough space in the intersection of the channels in HZSM-5 to accommodate both the planar E,E-DP3(+) and the nonplanar E,Z-DP3(+) stereoisomers. Fluorescence emissions follow a near-first-order decay, with a dominant short and a minor long component; the latter having a lifetime close to that reported for DP5(+) in solution at low temperatures. Z-E isomerization led to a blue-shift in the absorption spectra together with an increase in the apparent extinction coefficient, while emission maxima also appeared at longer wavelengths exhibiting distinctive decays. Evidence for the tripler excited states has been obtained by time-resolved diffuse reflectance spectroscopy. Estimated lifetimes obtained from the best first-order fit are in the tens of microseconds range. Weak delayed emission associated to the triplet excited state has also been observed.

  DOI：

  10.1021/jp960731e

文献信息

• Microbial resolution and asymmetric reduction related to optically active 1,3-diphenylpropane-1,3-diol
  作者：Koji Yamamoto、Hiroyuki Ando、Hiroaki Chikamatsu

  DOI：10.1039/c39870000334

  日期：——

  An efficient microbial resolution of 1,3-diphenylpropane-1,3-diol (4) has been achieved by exposing the corresponding diacetate to Trichoderma viride; a reductive cleavage of chiral acetals (6) derived from (4) with hydride reagent (Br2AlH, Cl2AlH) affords optically active alcohols (8) of high enantiomeric purities.

  有效的微生物分离1,3-二苯丙烷1,3，二醇（4）已通过将相应的二乙酸暴露于木霉中得以实现; 用氢化物试剂（Br 2 AlH，Cl 2 AlH ）对衍生自（4）的手性缩醛（6）进行还原性裂解，得到高对映体纯度的光学活性醇（8）。
• Mercuration of phenyl cyclopropanes: spatial factors
  作者：Yu.S. Shabarov、L.D. Sychkova、S.G. Bandaev

  DOI：10.1016/s0022-328x(00)88450-8

  日期：1975.10

  Mercuration of trans-1-phenyl-2-cyclohexylcyclopropane and stereoisomeric 1,2-di- and 1,2,3-triphenylcyclopropanes has been studied. An increase in the number of substituents in the cyclopropane ring leads to an increase in the stability of the ring towards mercury acetate, and substitution in the aromatic ring is the main process with 1,2,3-triphenylcyclopropane.

  研究了反式-1-苯基-2-环己基环丙烷和立体异构体的1,2-二-和1,2,3-三苯基环丙烷的汞化。环丙烷环中取代基数目的增加导致该环对乙酸汞的稳定性增加，芳环中的取代是1,2,3-三苯基环丙烷的主要过程。
• Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof
  申请人：Gao Mingzhi

  公开号：US20050096389A1

  公开（公告）日：2005-05-05

  The present application relates to polyol ester compounds, having general formula (I): R 1 CO—O—CR 3 R4-A-CR 5 R 6 —O—CO—R 2 (I) wherein, R, and R 2 groups, which may be identical or different, can be substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 3 -R 6 groups, which may be identical or different, can be selected from the group consisting of hydrogen, halogen or substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 1 -R 6 groups optionally contain one or more hetero-atoms replacing carbon, hydrogen atom or the both, said hetero-atom is selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus and halogen atom, two or more of R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring; A is a single bond or bivalent linking group with chain length between two free radicals being 1-10 atoms, wherein said bivalent linking group is selected from the group consisting of aliphatic, alicyclic and aromatic bivalent radicals, and can carry C 1 -C 20 linear or branched substituents; one or more of carbon atom and/or hydrogen atom on the substituents can be replaced by a hetero-atom selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus, and halogen atom, and two or more said substituents on the linking group as well as above-mentioned R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring. The compounds of formula (I) find use in preparing a catalyst for olefin polymerization.

  本申请涉及聚醇酯化合物，其一般式为（I）：R1CO-O-CR3R4-A-CR5R6-O-CO-R2（I），其中，R和R2基团可以相同或不同，可以是取代或未取代的碳氢基，其碳原子数为1到20个；R3-R6基团可以相同或不同，可以选择来自氢、卤素或取代或未取代的碳氢基的群，R1-R6基团可以选择包含一个或多个取代碳、氢原子或两者的杂原子，所述杂原子选择来自氮、氧、硫、硅、磷和卤素原子的群，其中R3-R6中的两个或更多个可以连接以形成饱和或不饱和的单环或多环环；A是单键或双价连接基团，其链长在两个自由基之间为1-10个原子，在所述双价连接基团中选择来自脂肪族、环烷和芳香族双价基团的群，并且可以携带C1-C20线性或支链取代基；取代基上的一个或多个碳原子和/或氢原子可以被选择来自氮、氧、硫、硅、磷和卤素原子的群的杂原子所取代，连接基上的两个或更多个取代基以及上述R3-R6基团可以连接以形成饱和或不饱和的单环或多环环。式（I）化合物可用于制备用于烯烃聚合的催化剂。
• GRIENGL H.; GEPPERT P., MONATSH. CHEM. <MOCH-AP>, 1976, 107, NO 2, 421-431
  作者：GRIENGL H.、 GEPPERT P.

  DOI：——

  日期：——
• YAMAMOTO KOJI; ANDO HIROYUKI; SHIKAMATSU HIROAKI, J. CHEM. SOC. CHEM. COMMUN.,(1987) N 5, 334-335
  作者：YAMAMOTO KOJI、 ANDO HIROYUKI、 SHIKAMATSU HIROAKI

  DOI：——

  日期：——