tetramethylammonium {(2-furyl)(oxido)carbene}pentacarbonylchromium | 33594-68-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: tetramethylammonium {(2-furyl)(oxido)carbene}pentacarbonylchromium
• 英文别名: Carbon monoxide;[furan-2-yl(oxido)methylidene]chromium;tetramethylazanium
• CAS: 33594-68-2
• 化学式: C₄H₁₂N*C₁₀H₃CrO₇
• 分子量: 361.272
• InChiKey: CJCFLBPLXAVYJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  41.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tetramethylammonium {(2-furyl)(oxido)carbene}pentacarbonylchromium 在 甲醇 、 乙酰氯 作用下， 以 not given 为溶剂， 以85%的产率得到{(2-Furyl)({(17,18)O}methoxy)carbene}pentacarbonylchromium
  参考文献：
  名称：

  Two regiocomplementary approaches to angular furanocoumarins with chromium carbene complexes: synthesis of sphondin, thiosphondin, heratomin, and angelicin

  摘要：

  DOI：

  10.1021/ja00230a023
• 作为产物：
  描述：

  呋喃-2-基-锂 、 四甲基溴化铵 生成 tetramethylammonium {(2-furyl)(oxido)carbene}pentacarbonylchromium
  参考文献：
  名称：

  MCCALLUM, J. STUART;KUNNG, FEN-ANN;GILBERTSON, SCOTT R.;WULFF, WILLIAM D., ORGANOMETALLICS, 7,(1988) N 11, C. 2346-2360

  摘要：

  DOI：

文献信息

• Stuart McCallum; Kunng, Fen-Ann; Gilbertson, Scott R., Organometallics, 1988, vol. 7, # 11, p. 2346 - 2360
  作者：Stuart McCallum、Kunng, Fen-Ann、Gilbertson, Scott R.、Wulff, William D.

  DOI：——

  日期：——
• Intramolecular cyclopropanation reactions of chromium (alkenyloxy)carbene complexes
  作者：Bjorn C. Soderberg、Louis S. Hegedus

  DOI：10.1021/om00162a024

  日期：1990.12
• Structure and bonding of heterobimetallic Fischer carbene complexes
  作者：Michal Sabat、Michael F. Gross、M. G. Finn

  DOI：10.1021/om00038a037

  日期：1992.2

  Heterobimetallic Fischer carbene complexes (CO)5CrC(OM')(R) [M' = Ti(O-iPr)3, R = n-Bu (3); R = 2-furyl (4); R = C(Me)CH2 (5); M' = TiCp2Cl, R = C(Me)CH2 (6)] are readily synthesized by metalation of pentacarbonylchromium acylate intermediates. X-ray crystallographic determinations have been performed at -120-degrees-C for these compounds, as well as for the acylate precursor [NMe4][(CO)5CrC(O)-(CMeCH2)] (7). Structures of 3-5 are the first to be reported of bimetallic carbene systems in which the Lewis acidic metal contains only oxygen ligands. The heterobimetallic complexes display unusually short Cr-C(carbene) and O-C(carbene) bond distances, with respect to standard alkoxycarbene analogues. 3 is monoclinic, P2(1)/n, with a = 12.694 (2) angstrom, b = 14.409 (3) angstrom, c = 13.552(3) angstrom, beta = 96.12 (2)-degrees, and R = 0.044. 4 is monoclinic, P2(1)/n, with a = 12.431 (4) angstrom, b = 10.775 (2) angstrom, c = 17.476 (6) angstrom, beta = 95.17 (3)-degrees, and R = 0.046. 5 is triclinic, P1BAR, with a = 9.555 (2) angstrom, b = 11.135 (3) angstrom, c = 12.613 (4) angstrom, alpha = 108.33 (2)-degrees, beta = 110.73 (2)-degrees, gamma = 97.51 (2)-degrees, and R = 0.038. 6 is monoclinic, P2(1)/n, with a = 12.369 (3) angstrom, b = 12.964 (3) angstrom, c = 12.993 (4) angstrom, beta = 107.47 (2)-degrees, and R = 0.031. 7 is orthorhombic, Pnma, with a = 11.603 (3) angstrom, b = 9.327 (3) angstrom, c = 14.993 (7) angstrom, and R = 0.039. The relevance of structural and spectroscopic data to bonding in these systems is discussed: the substitution of an O-bound electron-deficient metal for an O-alkyl group of a Fischer alkoxycarbene complex appears to increase pi-electron delocalization across the carbenoxy unit in such a way as to strengthen both M-C(carbene) and O-C(carbene) interactions.
• WULFF, WILLIAM D.;MCCALLUM, J. STUART;KUNNG, FEN-ANN, J. AMER: CHEM. SOC., 110,(1988) N2, C. 7419-7434
  作者：WULFF, WILLIAM D.、MCCALLUM, J. STUART、KUNNG, FEN-ANN

  DOI：——

  日期：——