| 150407-76-4

• CAS: 150407-76-4；148444-01-3
• 化学式: C₁₉H₇NO₁₁Os₃
• 分子量: 995.865
• InChiKey: SKFSXVITXDSKPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  在 CH₃CN 、 (CH₃)3NO 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  os簇与1-羟基苯并三唑反应的新型NN-氧化物配合物

  摘要：

  Reaction of Os3(CO)10(NCMe)2 (1) with 1-hydroxybenzotriazole (2) gave the hydrido complex (mu-H)Os3(CO)10(mu2-(2,3-eta2)-NNN(O)C6H4) (3) in 60% yield; reaction of isocyanide complexes Os3(CO)10(CNR)(NCMe) (4: R = n-Pr, CH2Ph) with 2 gave the bridging aminocarbyne products Os3(CO)10(mu2-(2,3-eta2)-NNN(O)C6H4)(mu2-eta1-C=NHR) (5 and 6). The O-H bond of the hydroxybenzotriazole ligand was cleaved in these reactions to afford complexes 3, 5, and 6, which contained an N-oxide moiety. Complexes 5a and 6a as well as 5b and Ob were regioisomers because of the restricted rotation about the C=N double bond in the bridging aminocarbyne. These isomers exhibited different polarities and were separated by chromatography. Results-from single-crystal X-ray diffraction analyses for 3, 5a, and 6b revealed the following data. 3: P2(1)/c; a = 8.629(l) angstrom, b = 9.919(l) angstrom, c = 25.446(2) angstrom; beta = 95.447(9)-degrees, V = 21681(3) angstrom3, Z = 4, R = 2.7%, R(w) = 3.0%. 5a: P2(1)/c; a = 10.4824(6) angstrom, b = 15.76.5(2) angstrom, c = 16.001(3) angstrom; beta = 97.981(9)-degrees, V = 2618.6(6) angstrom3, Z = 4, R = 3.0%, R(w) = 3.7%. 6b: P2(1)/c; a = 9.997(2) angstrom, b = 23.639(4) angstrom, c = 12.636(2) angstrom; beta = 111.37(l)-degrees, V 2780.8(8) angstrom3, Z = 4, R = 2.9%, R(w) = 3.1%. Studies on the structures of 5a and 6b by X-ray methods provided the first evidence indicating the existence of regioisomers with different orientations of the coordinated aminocarbyne group.

  DOI：

  10.1021/om00020a033
• 作为产物：
  描述：

  十二羰基三锇 、 (benzylimino)triphenylphosphorane 以 二氯甲烷 为溶剂， 以83%的产率得到
  参考文献：
  名称：

  Lu, Kuang-Lieh; Chen, Chi-Cheng; Lin, Yen-Wen, Journal of Organometallic Chemistry, 1993, vol. 453, p. 263 - 268

  摘要：

  DOI：

文献信息

• Reactions of 1-Hydroxypyridine-2-thione with Triosmium Clusters. Preparation and Transformation of <i>N</i>-Oxide-Containing Osmium Complexes
  作者：Jui-Te Hung、Sudalaiandi Kumaresan、Li-Chun Lin、Yuh-Sheng Wen、Ling-Kang Liu、Kuang-Lieh Lu、Jih Ru Hwu

  DOI：10.1021/om9601763

  日期：1996.12.24

  The reaction of 1-hydroxypyridine-2-thione with Os3(CO)11(NCMe) has yielded three new complexes Os3(CO)10(μ-H)(μ-η1-S-C5H4N(O)) (1, 11% yield), Os3(CO)10(μ-H)(η2-S-C5H4N(O)) (2, 16% yield), and Os3(CO)9(μ-H)(μ-η2:η1-SC5H4N(O)) (3, 3% yield). Similarly, treatment of complex Os3(CO)10(NCMe)2 with this ligand has produced the major complexes 1 and trace of 3. Prolonging the above two reactions increased

  1羟基吡啶-2-硫酮用的反应锇3（CO）11（NCMe）已经产生了三个新的配合物O的3（CO）10（μ-H）（μ-η 1 -SC 5 ħ 4 N（O） ）（1，11％产率），锇3（CO）10（μ-H）（η 2 -SC 5 ħ 4 N（O））（2，16％产率），和Os 3（CO）9（μ -H）（μ-η 2：η 1 -SC 5 ħ 4 N（O））（3，3％产率）。同样，处理复杂的Os 3具有该配体的（CO）10（NCMe）2产生了主要配合物1和3的痕量。延长上述两个反应可增加3的收率。用异氰酸tri配合物Os 3（CO）10（CNR）（NCMe）（a，R = CH 2 Ph; b，R = Pr）处理1-羟基吡啶-2-硫酮导致Os 3（CO ）9（μ-H）（CNR）（η 2 -SC 5 ħ 4 N（O））（4），锇3（CO）10（μ-η 1 -CNHCH 2 PH）（μ-η 1 -SC 5 ħ 4
• Effect of isocyanide ligand on the interaction of triosmium isocyanide complexes with amines
  作者：Kuang Lieh Lu、Chi Jen Chen、Yen Wen Lin、Han Mou Gau、Fung E. Hong、Yuh Sheng Wen

  DOI：10.1021/om00030a031

  日期：1993.6

  The interaction of the osmium isocyanide complexes Os3(CO)11(CNR) (1) with primary amines leads initially to the formation of the carboxamido complexes Os3(CO)10(mu2-CONHR')(mu2-C=NHR) (2) with a bridging aminocarbyne. The latter react with excess corresponding amines to yield Os3(CO)9(NH2R')(mu2-CONHR')(mu2-C=NHR) (3). Bubbling CO through the solution of 3 regenerates 2. Treatment of complex 2 with PPh3 affords Os3(CO)9(PPh3)(mu2-CONHR')(mu2-C=NHR) (5). Complex 3, when passed through silica gel, results in structure transformation to the hydrido complexes (mu-H)Os3(CO)9(mu2-CONHR')(CNR) (4) with the regeneration of the isocyanide ligand. Treatment of 3 with CH3CO2H or CF3CO2H also results in the formation of 4. In contrast, complex 2 or complex 5 remains unchanged when passed through silica gel. The transformation of the isocyanide ligand with the cleavage and formation of an Os-Os bond may play an important role in mediating the reactivity of the osmium cluster. The structures of Os3(CO)10(mu2-CONHPr(i))(mu2-C=NHCH2Ph) (2c), Os3(CO)9(NH2Pr(i))(mu2-CONHPr(i))(mu2-C=NBPh) (3a), and (mu-H)Os3(CO)9(mu2-CONHPr(i))(CNCH2Ph) (4c) have been determined by X-ray crystallography. Crystal data are as follows. 2c: Pbca; a = 11.9975(14) angstrom, b = 17.797(4) angstrom, c = 25.819(3) angstrom; V = 5512.9(14) angstrom3, Z = 8; R = 5.6%, R(w) = 5.9%. 3a: P1BAR; a = 8.7042(13) angstrom, b = 13.1002(20) angstrom, c = 13.546(4) angstrom, alpha = 93.456(17)-degrees; beta = 89.905(16)-degrees, gamma = 106.393(13)-degrees; V = 1478.9(5) angstrom3, z = 2; R = 3.8%, R(w) = 4.5%. 4c: P2(1)/n; a = 9.3811(15) angstrom, b = 10.0523(14) angstrom, c 28.265(17) angstrom; beta = 91.81(3)-degrees; V = 2664.1(17) angstrom3, z = 4; R = 3.6%, R(w) = 4.2%.