tricarbonyl(η⁶-ortho-dichlorobenzene)chromium | 70140-19-1

• 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: tricarbonyl(η⁶-ortho-dichlorobenzene)chromium
• 英文别名: ortho-dichlorobenzene(tricarbonyl)chromium；carbon monoxide;chromium;1,2-dichlorobenzene
• CAS: 70140-19-1
• 化学式: C₉H₄Cl₂CrO₃
• 分子量: 283.031
• InChiKey: XABUECNYWAPQGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.88
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tricarbonyl(η⁶-ortho-dichlorobenzene)chromium 在 甲醇 、 氢氧化钾 、 四正辛基溴化铵 作用下， 以 苯 为溶剂， 生成 tricarbonyl(η(6)-1,2-dimethoxybenzene)chromium
  参考文献：
  名称：

  Alemagna, Andreina; Baldoli, Clara; Buttero, Paola Del, Gazzetta Chimica Italiana, 1985, vol. 115, p. 555 - 560

  摘要：

  DOI：
• 作为产物：
  描述：

  六羰基铬 、 邻二氯苯 以 四氢呋喃 、 正庚烷 、 二丁醚 为溶剂， 以16%的产率得到tricarbonyl(η⁶-ortho-dichlorobenzene)chromium
  参考文献：
  名称：

  平面手性的催化不对称诱导：介孔的三羰基（亚芳基）铬络合物与烯基和芳基硼酸的钯催化不对称交叉偶联

  摘要：

  在手性膦-钯催化剂的存在下，三羰基（邻二氯苯）铬与烯基和芳基金属的不对称交叉偶联产生的单偶联产物的ee高达69％。

  DOI：

  10.1016/0022-328x(94)80113-4

文献信息

• Aromatic nucleophilic substitution of Cr(CO)3-complexed halogenoarenes: a new entry to dibenzo crown ethers
  作者：Clara Baldoli、Paola Del Buttero、Stefano Maiorana、Antonio Papagni

  DOI：10.1039/c39850001181

  日期：——

  A new entry to dibenzo crown ethers via nucleophilic substitution of Cr(CO)3-complexed o-dichlorobenzene with the appropriate ethers is reported.

  一个新的项，以二苯并冠醚经由的Cr（CO）的亲核取代3 -complexed ö报道二氯苯与适当的醚。
• Baldoli, Clara; Buttero, Paola Del; Licandro, Emanuela, Gazzetta Chimica Italiana, 1988, vol. 118, # 5, p. 409 - 414
  作者：Baldoli, Clara、Buttero, Paola Del、Licandro, Emanuela、Maiorana, Stefano

  DOI：——

  日期：——
• Enantioselective Synthesis of Planar-Chiral Phosphines with 1,N-Dioxa[N]paracyclophane Scaffold and Their Application as Chiral Ligands
  作者：Takanori Shibata、Kazumasa Kanda、Shoya Oshima、Tsubasa Shizuno、Risa Hamanaka、Miku Fukai

  DOI：10.3987/com-13-s(s)105

  日期：——
• Heppert, Joseph A.; Morgenstern, Mark A.; Scherubel, Devin M., Organometallics, 1988, vol. 7, # 8, p. 1715 - 1723
  作者：Heppert, Joseph A.、Morgenstern, Mark A.、Scherubel, Devin M.、Takusagawa, Fusao、Shaker, Mohammad R.

  DOI：——

  日期：——
• Reactions of anionic carborane nucleophiles with chromium-coordinated haloarenes
  作者：Timothy J. Henly、Carolyn B. Knobler、M. Frederick Hawthorne

  DOI：10.1021/om00042a057

  日期：1992.6

  Lithiated C-methyl-o-carborane, LiC2B10H10-(CH3), reacts with the complexes (eta-6-arene)Cr(CO)3 to yield C-methyl-C'-aryl-substituted carboranes. With the complexes (eta-6-o-C6H4X2)Cr(CO)3 the carborane displaces either a hydrogen atom (X = Cl) or a halide (X = F) from the arene ring to give 1-(1'-closo-2'-CH3-1',2'-C2B10H10)2,3-Cl2C6H3 (1) or 1-(1'-closo-2'-CH3-1',2'-C2B10H10)-2-FC6H4 (2), respectively. Reaction of 2 equiv of LiC2B10H10(CH3) with (eta-6-p-C6H4F2)Cr(CO)3 results in the displacement of both fluoride atoms on the arene ring to yield the p-phenylene compound 1,4-(1'-closo-2-CH3-1', 1'-C2B10H10)2C6H4 (3). Compounds 1 and 3 have been characterized by X-ray crystallography. 1 crystallized in the monoclinic space group P2(1) with a = 7.2516 (7), b = 7.7424 (8), and c = 13.4028 (13) angstrom; beta = 97.389 (3)-degrees; V = 750 angstrom3; and Z = 2. Data were collected at 128 K on a modified Picker FACS-1 diffractometer, using Mo K-alpha radiation, to a maximum 2-theta = 50-degrees, giving 1421 unique reflections, and the structure was solved by direct methods. The final discrepancy index was R = 0.038, R(w) = 0.061 for 1355 independent reflections with I > 3-sigma-(I). The C-C bond in the carborane is unusually long, 1.706 (5) angstrom, but it is the shortest interatomic distance within the icosahedron. 3 crystallized in the monoclinic space group P2(1)/n with a 7.024 (1), b = 13.764 (4), and c = 12.335 (4) angstrom; beta = 90.99 (1)-degrees; V = 1192 angstrom3; and Z = 2. Data were collected on a modified Syntex P1BAR diffractometer, using Cu K-alpha radiation, to a maximum 2-theta = 100-degrees, giving 1219 unique reflections, and the structure was solved by direct methods. The final discrepancy index was R = 0.061, R(w) = 0.086 for 1020 independent reflections with I > 2-sigma(I). The molecule is centrosymmetric. The C-C bond in the carborane is rather long, 1.684 (5) angstrom, but it is the shortest interatomic distance in the icosahedron.