{tricarbonyl(η6-1-tri-n-butylstannylbenzene)chromium} | 140864-41-1

• 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(η6-1-tri-n-butylstannylbenzene)chromium}
• 英文别名: tributyltin(η6-benzene)tricarbonylchromium；Carbon monoxide;chromium;tributyl(phenyl)stannane
• CAS: 140864-41-1
• 化学式: C₂₁H₃₂CrO₃Sn
• 分子量: 503.189
• InChiKey: PFIHREHRTYRMRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.63
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 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(η6-1-tri-n-butylstannylbenzene)chromium} 在 三苯基膦 作用下， 以 苯 为溶剂， 以86%的产率得到{(triphenylphosphine)dicarbonyl(η6-1-tri-n-butylstannylbenzene)chromium}
  参考文献：
  名称：

  Synthesis of the new metalloligands [η6-(PPh2)xC6H6−x]Cr(CO)2(L) [x = 1,2; L = CO and PR3] and some rhodium(I) complexes

  摘要：

  Transmetallation of {eta(6)-1,4-(Bun3Sn)2C6H4}Cr(CO)2(PBun3) with nBuLi followed by treatment with diphenylchlorophosphine afforded as the major product {eta(6)-1,4-(PPh2)2C6H4}Cr(CO)2(PBun3) (4) and a minor amount of {eta(6)-1-(SnBun3)-4-(PPh2)C6H4}Cr(CO)2(PBun3) (5). Treatment of {eta(6)-1,4-(PPh2)2C6H4}Cr(CO)2(L) (9, L = CO; 4, L = PBun3) with [(CO)2RhCl]2 liberated carbon monoxide and gave the heterobimetallic coordination polymers {[eta(6)-1,4-(PPh)2C6H4]Cr(CO)2L]Rh(CO)Cl}n (10a, L = CO; 10b, L = PBun3). Coordination of both PPh2 substituents to rhodium led to hindered rotation about the Cr-(eta(6)-arene) axis (DELTA-G double-ended dagger = 11.7 +/- 0.1 kcal mol-1 for 10b, estimated from the P-31 DNMR spectra). The transmetallation chemistry was also used to prepare {eta(6)-(PPh2)C6H5}Cr(CO)2(L) (8a, L = CO; 8b, L = PPh3] in excellent yields.

  DOI：

  10.1016/s0277-5387(00)83176-9
• 作为产物：
  描述：

  三丁基苯基锡 、 六羰基铬 以 四氢呋喃 、 1,4-二氧六环 、 乙腈 为溶剂， 以90%的产率得到{tricarbonyl(η6-1-tri-n-butylstannylbenzene)chromium}
  参考文献：
  名称：

  Synthesis of the new metalloligands [η6-(PPh2)xC6H6−x]Cr(CO)2(L) [x = 1,2; L = CO and PR3] and some rhodium(I) complexes

  摘要：

  Transmetallation of {eta(6)-1,4-(Bun3Sn)2C6H4}Cr(CO)2(PBun3) with nBuLi followed by treatment with diphenylchlorophosphine afforded as the major product {eta(6)-1,4-(PPh2)2C6H4}Cr(CO)2(PBun3) (4) and a minor amount of {eta(6)-1-(SnBun3)-4-(PPh2)C6H4}Cr(CO)2(PBun3) (5). Treatment of {eta(6)-1,4-(PPh2)2C6H4}Cr(CO)2(L) (9, L = CO; 4, L = PBun3) with [(CO)2RhCl]2 liberated carbon monoxide and gave the heterobimetallic coordination polymers {[eta(6)-1,4-(PPh)2C6H4]Cr(CO)2L]Rh(CO)Cl}n (10a, L = CO; 10b, L = PBun3). Coordination of both PPh2 substituents to rhodium led to hindered rotation about the Cr-(eta(6)-arene) axis (DELTA-G double-ended dagger = 11.7 +/- 0.1 kcal mol-1 for 10b, estimated from the P-31 DNMR spectra). The transmetallation chemistry was also used to prepare {eta(6)-(PPh2)C6H5}Cr(CO)2(L) (8a, L = CO; 8b, L = PPh3] in excellent yields.

  DOI：

  10.1016/s0277-5387(00)83176-9

文献信息

• Intervention by an η⁶-Organochromium Moiety Switches Chemoselectivity in Palladium-Catalyzed Reactions with Trialkyltin Compounds
  作者：Damien Prim、Jean-Philippe Tranchier、René Chavignon、Françoise Rose-Munch、Eric Rose

  DOI：10.1021/om010004s

  日期：2001.4.1

  The reaction of (chloroarene)tricarbonylchromium with hexaalkylditin under palladium catalysis does not proceed by the expected Stille reaction with addition of an SnR3 group but, instead, affords alkylarene complexes via a postulated chromium-assisted alkyl migration.

  在钯催化下，（氯亚芳基）三羰基铬与六烷基二锡的反应不会通过添加SnR 3基团的预期Stille反应进行，而是通过假定的铬辅助烷基迁移提供了烷基亚芳基配合物。
• Synthesis of the new metalloligands [η6-(PPh2)xC6H6−x]Cr(CO)2(L) [x = 1,2; L = CO and PR3] and some rhodium(I) complexes
  作者：Michael E. Wright、Lance Lawson、R.Thomas Baker、D.Christopher Roe

  DOI：10.1016/s0277-5387(00)83176-9

  日期：1992.1

  Transmetallation of eta(6)-1,4-(Bun3Sn)2C6H4}Cr(CO)2(PBun3) with nBuLi followed by treatment with diphenylchlorophosphine afforded as the major product eta(6)-1,4-(PPh2)2C6H4}Cr(CO)2(PBun3) (4) and a minor amount of eta(6)-1-(SnBun3)-4-(PPh2)C6H4}Cr(CO)2(PBun3) (5). Treatment of eta(6)-1,4-(PPh2)2C6H4}Cr(CO)2(L) (9, L = CO; 4, L = PBun3) with [(CO)2RhCl]2 liberated carbon monoxide and gave the heterobimetallic coordination polymers [eta(6)-1,4-(PPh)2C6H4]Cr(CO)2L]Rh(CO)Cl}n (10a, L = CO; 10b, L = PBun3). Coordination of both PPh2 substituents to rhodium led to hindered rotation about the Cr-(eta(6)-arene) axis (DELTA-G double-ended dagger = 11.7 +/- 0.1 kcal mol-1 for 10b, estimated from the P-31 DNMR spectra). The transmetallation chemistry was also used to prepare eta(6)-(PPh2)C6H5}Cr(CO)2(L) (8a, L = CO; 8b, L = PPh3] in excellent yields.