2-methylphenylene-1,4-diisocyanate | 16407-08-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2-methylphenylene-1,4-diisocyanate
• 英文别名: 1,4-Diisocyano-2-methylbenzene
• CAS: 16407-08-2
• 化学式: C₉H₆N₂
• 分子量: 142.16
• InChiKey: MMUMNKMTTNNCRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  8.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  、 2-methylphenylene-1,4-diisocyanate 以 二氯甲烷 为溶剂， 以88%的产率得到
  参考文献：
  名称：

  具有二异氰酸酯和二乙炔化物桥接的金（I）中心的硬杆聚合物和模型化合物

  摘要：

  双核炔基（异氰化物）金（I）络合物已经制备由低聚物前体[（AUC⋮CRC⋮CAU）的反应Ñ C]（R = 6 ħ 4，C 6 H ^ 4 Ç 6 ħ 4，2,5--C 6 H 2 Me 2， CH 2 OC 6 H 4 C（Me）2 -C 6 H 4 OCH 2）与2,6-二甲基苯基异氰化物（XyN⋮C）生成[XyN⋮CAuC⋮CRC⋮CAuC⋮NXy]或通过[[（R'C⋮CAu）n ]与二异氰酸酯CNRNC反应得到[R'C⋮CAuCNRCAuCNC⋮CR']（R = C 6 H4，2-MEC 6 ħ 3，C 6我4，2,5--ME 2 c ^ 6 ħ 2 -2,5-ME 2 c ^ 6 ħ 2，2,5--C 6 H ^ 2（吨-Bu）2 ; R'= t -Bu或Ph）。产物经光谱表征，对于R ＝ 2，5-C 6 H 2（t- Bu）2；对R ＝2，2 -C 。通过X射线结构确定，R′＝

  DOI：

  10.1021/om950659r

文献信息

• Hogarth, Graeme; Humphrey, David G.; Kaltsoyannis, Nikolas, Journal of the Chemical Society, Dalton Transactions
  作者：Hogarth, Graeme、Humphrey, David G.、Kaltsoyannis, Nikolas、Kim, Woo-Sung、Lee, Mo-yin (Venus)、et al.

  DOI：——

  日期：——
• Rigid-Rod Polymers, Oligomers, and Model Complexes with Pt−Pt Bonds in the Backbone
  作者：Michael J. Irwin、Guochen Jia、Jagadese J. Vittal、Richard J. Puddephatt

  DOI：10.1021/om960420q

  日期：1996.12.10

  Reaction of [Pt2Cl2(mu-dppm)(2)], dppm = Ph(2)PCH(2)PPh(2), with PhC=CH in methanol gives [Pt2Cl2(mu-dppm)(2)(mu-PhCCH)], 1, or, in the presence of base, [Pt-2(C=CPh)(2)(mu-dppm)(2)], 2, or [Pt-2(C=CPh)(2)(mu-dppm)(2)(mu-PhCCH)], 4. Complex 2 reacts with chlorinated solvents to reform [Pt2Cl2(mu-dppm)(2)], but in the presence of base, [Pt-2(C=CPh)(2)(mu-dppm)(2)(mu-OH ... Cl)], 3, may be formed. Complexes 1 and 3 have been characterized by X-ray structure determinations, and the conditions for formation of 2 have been optimized as a model reaction for polymer formation by using diacetylenes. Reaction of [Pt2Cl2(mu-dppm)(2)] with HC=CArC=CH in methanol in the presence of base gives insoluble oligomers characterized as Cl-[Pt-2(mu-C=CArC=C)(2)(mu-dppm)(2)](x)[Pt2Cl(mu-dppm)(2)] 5, that is as a diacetylide bridged oligomer with chloride end groups; depending on the diacetylide used x varies from ca. 3-12. Cationic polymers [Pt-2(mu-dppm)(2)(mu-L-L)](x)(BF4)(2x), 6 or 7, are formed by reaction of [Pt2Cl3(mu-dppm)(2)] with diisocyanide ligands C=NArN=C or with the diphosphine ligand Ph(2)PC(6)H(4)PPh(2), respectively. In contrast, the diphosphine ligand i-Pr2PC6H4C6H4P-i-Pr-2, having a longer spacer group, gives the cyclic complex [Pt-2(mu-dppm)(2)(mu-i-Pr2PC6H4C6H4P-i-Pr-2)](2)(BF4)(4). The polymeric complexes 5-7 are insoluble or sparingly soluble in common organic solvents. They represent rare examples of conjugated, rigid-rod oligomers or polymers with metal-metal bonds in the backbone.