benzoic acid 9-oxo-nonyl ester | 140434-49-7

• 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: benzoic acid 9-oxo-nonyl ester
• 英文别名: 9-oxononyl benzoate；λ-benzoyloxy-nonylaldehyde；λ-Benzoyloxy-pelargonaldehyd；λ-Benzoyloxy-nonylaldehyd
• CAS: 140434-49-7
• 化学式: C₁₆H₂₂O₃
• 分子量: 262.349
• InChiKey: WAZKJAVMHVQKLT-UHFFFAOYSA-N

物化性质

• 沸点：
  380.3±25.0 °C(Predicted)
• 密度：
  1.021±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  benzoic acid 9-oxo-nonyl ester 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 8-(4,5-dihydro-1H-imidazol-2-yl)octyl benzoate
  参考文献：
  名称：

  One-pot synthesis of imidazolines from aldehydes: detailed study about solvents and substrates

  摘要：

  Imidazolines were prepared in one-pot operation from aldehydes and diamines through oxidation of aminal intermediates by NBS. This method could be applied to various aromatic and aliphatic aldehydes and N-nonsubstituted and N-monosubstituted 1,2-diamines. Furthermore, it was found that CH2Cl2 could be altered to TBME, a more environmentally friendly solvent, in the reaction using N-nonsubstituted 1,2-diamines. The reaction conditions were very mild and chemoselective. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2006.11.007
• 作为产物：
  描述：

  benzoic acid 9-hydroxynon-1-yl ester 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 以79%的产率得到benzoic acid 9-oxo-nonyl ester
  参考文献：
  名称：

  One-pot synthesis of imidazolines from aldehydes: detailed study about solvents and substrates

  摘要：

  Imidazolines were prepared in one-pot operation from aldehydes and diamines through oxidation of aminal intermediates by NBS. This method could be applied to various aromatic and aliphatic aldehydes and N-nonsubstituted and N-monosubstituted 1,2-diamines. Furthermore, it was found that CH2Cl2 could be altered to TBME, a more environmentally friendly solvent, in the reaction using N-nonsubstituted 1,2-diamines. The reaction conditions were very mild and chemoselective. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2006.11.007

文献信息

• Pesticidal polyhalo alkenoic acid esters
  申请人：FMC Corporation

  公开号：US05081287A1

  公开（公告）日：1992-01-14

  The present invention discloses and exemplifies alcohol, ether and ester derivatives of difluoroalkanes and difluoroalkenylalkanes having the general formula R--(CH.sub.2).sub.m --CR.sup.2 R.sup.3 --OR.sup.1, in which R is a 1,1-difluoroalkyl or a 1,1-difluoroalkenyl group, composition thereof, and use thereof to control agricultural crop pests.

  本发明公开并示范了具有一般公式R--(CH.sub.2).sub.m --CR.sup.2 R.sup.3 --OR.sup.1的二氟烷基和二氟烯基烷基的醇、醚和酯衍生物，其中R是1,1-二氟烷基或1,1-二氟烯基基团，其组成物以及用于控制农业作物害虫的用途。
• Supramolecular Catalyst for Aldehyde Hydrogenation and Tandem Hydroformylation-Hydrogenation
  作者：Lisa Diab、Tomáš Šmejkal、Jens Geier、Bernhard Breit

  DOI：10.1002/anie.200903620

  日期：2009.10.12

  The chemoselective reduction of aldehydes and the tandem hydroformylation–hydrogenation of terminal alkenes are possible with a supramolecular catalyst that operates by a novel mechanism involving substrate activation by hydrogen bonding and subsequent metal–ligand bifunctional hydrogenation (see scheme).

  超分子催化剂可以实现醛的化学选择性还原和末端烯烃的串联加氢甲酰化-氢化反应，这种超分子催化剂可以通过一种新颖的机理起作用，包括通过氢键和随后的金属-配体双功能加氢进行底物活化（参见方案）。
• METHOD FOR THE DECARBOXYLATIVE HYDROFORMYLATION OF ALPHA, BETA- UNSATURATED CARBOXYLIC ACIDS
  申请人：Rudolph Jens

  公开号：US20110028746A1

  公开（公告）日：2011-02-03

  The present invention relates to a process for preparing aldehydes by reacting an α,β-unsaturated carboxylic acid or a salt thereof with carbon monoxide and hydrogen in the presence of a catalyst comprising at least one complex of a metal of transition group VIII of the Periodic Table of the Elements with at least one compound of the formula (I), where Pn is pnicogen; W is a divalent bridging group having from 1 to 8 bridge atoms between the flanking bonds; R 1 is a functional group capable of forming at least one intermolecular, noncovalent bond with the —X(═O)OH group of the compound of the formula (I); R 2 , R 3 are each in each case optionally substituted alkyl, cycloalkyl, heterocycloalkyl, aryl or hetaryl or together with the pnicogen atom and together with the groups Y 2 and Y 3 if present form an optionally fused and optionally substituted 5- to 8-membered heterocycle; a, b and c are each 0 or 1; and Y 1,2,3 are each, independently of one another, O, S, NR a or SiR b R c , where R a,b,c are each H or in each case optionally substituted alkyl, cycloalkyl, heterocycloalkyl, aryl or hetaryl; and the use of the above-described catalyst for the decarboxylative hydroformylation of α,β-unsaturated carboxylic acids.

  本发明涉及一种通过在过渡元素周期表第VIII族金属的至少一个配合物存在下，将α，β-不饱和羧酸或其盐与一氧化碳和氢反应制备醛的方法，所述配合物的化学式为(I)，其中Pn为氮族元素；W为具有1到8个桥连原子的二价桥联基团；R1为能够与化合物的化学式(I)中的—X(═O)OH基团形成至少一种分子间非共价键的官能团；R2、R3在每种情况下均为可选择的取代烷基、环烷基、杂环烷基、芳基或杂芳基，或者与氮族原子以及Y2和Y3基团（如存在）一起形成一个可选择的融合和可选择的取代的5到8元杂环；a、b和c分别为0或1；Y1、2、3各自独立地为O、S、NRa或SiRbRc，其中Ra、b、c各自为H或可选择的取代烷基、环烷基、杂环烷基、芳基或杂芳基；以及上述催化剂用于α，β-不饱和羧酸的脱羧氢甲酰化。
• A mild and efficient one-pot synthesis of 2-dihydroimidazoles from aldehydes
  作者：Hiromichi Fujioka、Kenichi Murai、Yusuke Ohba、Atsushi Hiramatsu、Yasuyuki Kita

  DOI：10.1016/j.tetlet.2005.02.025

  日期：2005.3

  The reactions of various aldehydes and 1,2-diamines followed by NXS treatment proceed at 0 degrees C to give the corresponding dihydroimidazoles in high yields. The reaction is mild, and many functional groups such as halogens, nitrites, and esters can exist. (c) 2005 Elsevier Ltd. All rights reserved.
• A Supramolecular Catalyst for the Decarboxylative Hydroformylation of α,β-Unsaturated Carboxylic Acids
  作者：Tomáš Šmejkal、Bernhard Breit

  DOI：10.1002/anie.200800956

  日期：2008.5.13