2,3-decadienal | 185843-05-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3-decadienal
• 英文别名: 2,3-Decadienal
• CAS: 185843-05-4
• 化学式: C₁₀H₁₆O
• 分子量: 152.236
• InChiKey: VIMOJWHQBRWFTR-UHFFFAOYSA-N

物化性质

• 沸点：
  235.1±7.0 °C(Predicted)
• 密度：
  0.831±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,3-decadienal 在 rac-r-1,t-2,t-4,c-6-tetrakis(methoxycarbonyl)-5-palladatricyclo<4.1.0.0^2,4>heptane 作用下， 以 二氯甲烷-D2 为溶剂， 生成 2-正-己基呋喃
  参考文献：
  名称：

  Stephen; Hashmi; Schwarz, Lothar, Chemische Berichte, 1997, vol. 130, # 10, p. 1449 - 1456

  摘要：

  DOI：
• 作为产物：
  描述：

  3-decynal 在 silica gel 作用下， 以 氘代氯仿 为溶剂， 反应 0.17h， 生成 2,3-decadienal
  参考文献：
  名称：

  Photochemical Synthesis of 3-Alkynals from 1-Alkynoxy-9,10-anthraquinones

  摘要：

  Photolysis of 1-(3-alkynoxy)-9,10-anthraquinones in deoxygenated methanol leads to moderate yields (35-45%) of 3-alkynals along with the unexpected formation of diacetals. Reaction of these 3-alkynals with Grignard and Wittig reagents occurs nearly quantitatively without rearrangement to their 2,3-dienal isomers.

  DOI：

  10.1021/jo900298y

文献信息

• Asymmetric allylborations of 3-decynal dicobalt hexacarbonyl: cobalt induced reversal of enantioselectivity and applications to highly diastereoselective intramolecular pauson-khand reactions
  作者：William R. Roush、Jae Chan Park

  DOI：10.1016/0040-4039(91)80148-y

  日期：1991.10

  stereochemically defined 1,6-enyne dicobalt hexacarbonyl complexes (12, 13) that undergo highly diastereoselective intramolecular Pauson-Khand cyclizations to bicyclooctenones 14 and 15 (90% e.e. for 15). The mechanistically significant reversal of enantioselectivity in the allylborations of 10 compared to the parent 3-decynal 5 is also reported.

  3-癸二乙基二羰基二羰基（10）的对映选择性巴豆基硼酸酯为立体化学定义的1,6-烯炔二乙基六羰基复合物（12、13）提供了一条非常便捷的途径，该化合物经历了高度非对映选择性的分子内Pauson-Khand环化成双环辛烯酮14和15（90％） ee 15）。还报道了与母体3-癸醛5相比，烯丙基硼化10中的对映选择性的机械上显着的逆转。
• Crystals and structures of members of the E. coli comA and yddB protein families (ComA)
  申请人：——

  公开号：US20030158384A1

  公开（公告）日：2003-08-21

  The present invention provides machine readable media embedded with the three-dimensional molecular structure coordinates of ComA proteins, and subsets thereof, including binding pockets, methods of using the structure to identify and design affecters, including inhibitors and activator, mutants of ComA, and compounds and compositions that affect ComA activity.

  本发明提供了嵌入 ComA 蛋白及其子集（包括结合口袋）三维分子结构坐标的机器可读介质、使用该结构识别和设计影响因子（包括抑制剂和激活剂）的方法、ComA 的突变体以及影响 ComA 活性的化合物和组合物。
• [EN] CRYSTALS AND STRUCTURES OF MEMBERS OF THE E. COLI COMA AND YDDB PROTEIN FAMILIES (COMA)<br/>[FR] CRISTAUX ET STRUCTURES DE MEMBRES DES FAMILLES (COMA) DE PROTEINES E. COLI COMA ET YDDB
  申请人：STRUCTURAL GENOMIX INC

  公开号：WO2003050239A2

  公开（公告）日：2003-06-19

  The present invention provides machine readable media embedded with the three-dimensional molecular structure coordinates of ComA proteins, and subsets thereof, including binding pockets, methods of using the structure to identify and design affecters, including inhibitors and activator, mutants of ComA, and compounds and compositions that affect ComA activity.
• Photochemical Synthesis of 3-Alkynals from 1-Alkynoxy-9,10-anthraquinones
  作者：Ronald L. Blankespoor、Peter J. Boldenow、Eric C. Hansen、Jeffrey M. Kallemeyn、Andrew G. Lohse、David M. Rubush、Derek Vrieze

  DOI：10.1021/jo900298y

  日期：2009.5.15

  Photolysis of 1-(3-alkynoxy)-9,10-anthraquinones in deoxygenated methanol leads to moderate yields (35-45%) of 3-alkynals along with the unexpected formation of diacetals. Reaction of these 3-alkynals with Grignard and Wittig reagents occurs nearly quantitatively without rearrangement to their 2,3-dienal isomers.
• Stephen; Hashmi; Schwarz, Lothar, Chemische Berichte, 1997, vol. 130, # 10, p. 1449 - 1456
  作者：Stephen、Hashmi、Schwarz, Lothar

  DOI：——

  日期：——