1,8-diisocyano-p-menthane | 86469-90-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1,8-diisocyano-p-menthane
• 英文别名: 1,8-diisocyanomenthane；1,8-dicyano-p-menthane；1,8-diisocyanoparamenthane；dmb；dimen；1-Isocyano-4-(2-isocyanopropan-2-yl)-1-methylcyclohexane
• CAS: 86469-90-1
• 化学式: C₁₂H₁₈N₂
• 分子量: 190.288
• InChiKey: OEUHKBMIIZTRLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  1,8-diisocyano-p-menthane 以 乙腈 、 苯 为溶剂， 生成 {Ag3(1,8-diisocyano-p-menthane)2I3}
  参考文献：
  名称：

  Mechanism of formation of [Ag2L2I2] and crystal structure of the intermediate [Ag3L2I3] cluster (L = 1,8-diisocyano-p-menthane)

  摘要：

  The complexes [AgnL2In] (n = 2-4, L = 1,8-diisocyano-p-menthane) have been prepared from the direct reaction of AgI with L in the appropriate stoichiometric amount and have been identified either by chemical analysis and fast atom bombardment mass spectroscopy (n = 2 or 4), or by X-ray crystallography (n = 2 or 3). Addition of excess of L to benzene solutions of AgI, [Ag4L2I4] or [Ag3L2I3] always led to [Ag2L2I2], indicating that the synthesis of the Ag, complexes from AgI must proceed via the formation of the Ag4 and Ag3 species. The single-crystal X-ray analysis of [Ag3L2I3] reveals the formation of a quasi-isosceles triangular Ag3 structure [apex angle 44.55(7)-degrees] with the following r(Ag ... Ag) values: 3.633(4), 3.760(4) and a relatively short one of 2.805(4) angstrom. The triangular structure is bicapped by two iodine atoms [r(Ag-1) ranging from 2.789(3) to 3.085(5) angstrom], while the third iodine atom bridges the two least separated Ag atoms. The Raman-active v(Ag2) mode associated with this short binding is observed at 122 cm-1 (with a force constant, F extracted from the diatomic approximation, of 0.47 mdyn angstrom-1). These non-bonding Ag ... Ag interactions correspond approximately to an Ag-Ag bond order of almost-equal-to 0.5.

  DOI：

  10.1039/dt9930001365
• 作为产物：
  描述：

  盐酸氨基脲 、 cis-(1,1'-p-menth-1,8-ylene)bis(3-tert-butyl-2-aziridinone) 在 sodium acetate 作用下， 以 癸烷 为溶剂， 反应 1.0h， 生成 pivalaldehyde semicarbazone 、 1,8-diisocyano-p-menthane 、 1,8-dicyano-p-menthane
  参考文献：
  名称：

  具有萜烯骨架的新型稳定双-α-内酰胺（氮丙啶酮）的合成、物理和光谱特性以及一些反应

  摘要：

  合成一种新的稳定的双-α-内酰胺，cis-1,1'（p-menth-1,8-ylene）双（3-叔丁基-2-氮丙啶酮）（4），衍生自对薄荷烷, 进行了描述。完全自发热分解需要在沸腾的正癸烷（沸点 174°C）中回流 1 小时，产物为 2,2-二甲基丙醛（新戊醛）（6）和 1,8-二异氰基对薄荷烷（7）。与苄胺反应产生出乎意料的双苄基酰胺（13a），而与甲醇钠反应产生双-α-氨基酸酯（14）。

  DOI：

  10.1081/scc-100107018

文献信息

• The First <i>P</i> ‐Stereogenic 1D Coordination Polymers with the Metal Centers in the Backbone
  作者：Christine Salomon、Daniel Fortin、Naïma Khiri、Sylvain Jugé、Pierre D. Harvey

  DOI：10.1002/ejic.201100154

  日期：2011.6

  complexes were used as building blocks to prepare the first P-chirogenic 1D coordination polymers [M2(dppm*)2(dmb)2](BF4)2}n [dppm* = (R,R)-22, (S,S)-22, (R,R)-23, (S,S)-23, M = Cu, Ag, dmb = 1,8-diisocyano-p-menthane] where M is part of the backbone of the polymer chain. The isostructural nature of these new polymers with the achiral parent polymers, [M2(dppm)2(dmb)2](BF4)2}n (M = Cu, Ag), was unambiguously

  对映体配体 (R,R)- 和 (S,S)-双(o-茴香基苯基膦基) 甲烷 (R,R-22 和 S,S-22) 和 (R,R)- 和 (S,S)-双（苯基-间-二甲苯基膦酰基）甲烷（R,R-23 和 S,S-23；dppm*），用 [Cu(NCCH3)4](BF4) 和 Ag 处理以产生双核配合物 [Cu2(dppm *)2(NCCH3)4]( )2 或 [Ag2(dppm*)2]( )2 分别。然后，这些配合物被用作构建块来制备第一个 P-chirogenic 一维配位聚合物 [M2(dppm*)2(dmb)2]( )2}n [dppm* = (R,R)-22, (S,S)-22, (R,R)-23, (S,S)-23, M = Cu, Ag, dmb = 1,8-二异氰基-对薄荷烷] 其中 M 是聚合物链。这些具有非手性母体聚合物 [M2(dppm)2(dmb)2]( )2}n
• Mixed-Ligand Organometallic Polymers Containing the “Pd₂(dmb)₂²⁺” Fragment:  Properties of the {Pd₂(dmb)₂(diphos)²⁺}<i>_n</i> Polymers/Oligomers in Solution and in the Solid State
  作者：Stéphanie Sicard、Jean-François Bérubé、Dalila Samar、Abdelhalim Messaoudi、Daniel Fortin、Frédéric Lebrun、Jean-François Fortin、Andreas Decken、Pierre D. Harvey

  DOI：10.1021/ic049923b

  日期：2004.8.1

  species is a binuclear complex (T(1)/NOE). This result suggests that the structure of the title polymers in solution and in the solid state may not be the same either. Finally, these polymers are strongly luminescent in PrCN glasses at 77 K, and the photophysical data (emission lifetimes, 1.50 < tau(e) < 2.75 ns; quantum yields, 0.026 < Phi(e) < 0.17) are presented. X-ray data for [Pd(2)(dppe)(2)(dmb)(2)](PF(6))(4):

  d（9）-d（9）Pd（2）（dmb）（2）Cl（2）络合物（dmb = 1,8-diisocyano-p-menthane）和二膦配体（diphos）之间的1：1反应）在LiClO存在下，双（二苯基膦基）丁烷（5，dppb），双（二苯基膦基）戊烷（6，dpppen），双（二苯基膦基）己烷（7，dpph）和双（二苯基膦基）乙炔（8，dpa） （4）导致生成[[Pd（2）（dmb）（2）（diphos）]（ClO（4））（2）]（n）聚合物。这些新材料的特征在于NMR（（1）H，（13）C，（31）P），​​IR，拉曼光谱和紫外可见光谱（466
• Small Metal‐Containing Oligomers Using M ₂ (dmpm) _<i>x</i> and M ₂ (dmb) _<i>y</i> Luminescent Building Blocks (M = Cu, Ag; <i>x</i> = 2, 3; <i>y</i> = 1, 2)
  作者：Éric Fournier、Andreas Decken、Pierre D. Harvey

  DOI：10.1002/ejic.200400543

  日期：2004.11

  The luminescent binuclear complexes M2(dmpm)32+ [M = Cu, Ag; dmpm = bis(dimethylphosphanyl)methane], Ag2(dmpm)22+ and Cu2(dmpm)3(CN-tBu)22+ (as BF4− salts), as well as the oligomers described as Cu2(dmpm)3(dmb)1.332+}3 and Ag2(dmpm)2(dmb)1.332+}3 (dmb = 1,8-diisocyano-p-menthane), have been prepared and fully characterized in the solid state. These compounds exhibit emission maxima ranging from 445

  发光双核配合物 M2(dmpm)32+ [M = Cu, Ag; dmpm = 双(二甲基膦酰基)甲烷]、Ag2(dmpm)22+ 和 Cu2(dmpm)3(CN-tBu)22+（作为 BF4− 盐），以及描述为 Cu2(dmpm)3(dmb) 的低聚物)1.332+}3 和 Ag2(dmpm)2(dmb)1.332+}3（dmb = 1,8-二异氰基-p-薄荷烷）已在固态下制备并完全表征。这些化合物的发射最大值范围为 445 至 485 nm，发射寿命为 μs 时间尺度。M2(dmpm)32+ (M = Cu, Ag) 和 Cu2(dmpm)3(CN-tBu)22+ 配合物的 X 射线结构、XRD 图（X 射线粉末衍射）、DSC（差示扫描量热法） )、TGA（热重分析）和固态红外光谱已被检查以表征这些复合物和低聚物。(© Wiley-VCH Verlag GmbH & Co. KGaA
• Novel luminescent binuclear gold(I) isocyanide complexes. Synthesis, spectroscopy, and X-ray crystal structure of Au2(dmb)(CN)2(dmb = 1,8-di-isocyano-p-menthane)
  作者：Chi-Ming Che、Wing-Tak Wong、Ting-Fong Lai、Hoi-Lun Kwong

  DOI：10.1039/c39890000243

  日期：——

  Reaction of K[AuCl4] with dmb (1,8-di-isocyano-p-menthane) in boiling ethanol yielded Au2(dmb)(CN)2 with an intramolecular Au–Au separation of 3.536 Å excitation of Au2(dmb)(CN)2 in fluid solution and in the solid state leads to photoluminescence (λmax. ∼468 nm, τ0 0.13 µs in degassed CH2Cl2).

  在沸腾的乙醇中，K [AuCl 4 ]与DMB（1,8-di-isocyano- p - menthane）反应生成Au 2（DMB）（CN）2，分子内Au-Au分离为3.536Å激发Au 2（ DMB）（CN）2在流体溶液，并在固态导致光致发光（λ最大。~468纳米，τ 0 0.13微秒在脱气的CH 2氯2）。
• Organic light emitting device material and organic light emitting devcie
  申请人：Takahashi Yoshiaki

  公开号：US20060009629A1

  公开（公告）日：2006-01-12

  The present invention provides phosphorescent materials and polymer phosphorescent materials that generate lights of various colors including blue, green, yellow, orange and red, which are useful for high performance multicolor organic light-emitting EL devices, and also provides an organic light emitting device material containing a gold complex represented by formulae such as (2) and (6) below (symbols in the formulae are as described in the specification) in which gold is bonded to at least one atom selected from carbon, oxygen and sulfur, and organic light-emitting EL device including the material in its light-emitting layer.

  本发明提供了可产生包括蓝、绿、黄、橙和红在内的各种颜色的光的磷光材料和聚合物磷光材料，这些材料可用于高性能多色有机发光 EL 器件，本发明还提供了一种有机发光器件材料，该材料含有如下式（2）和（6）（式中符号如说明书所述）表示的金复合物，其中金与至少一个选自碳、氧和硫的原子键合，本发明还提供了在其发光层中包括该材料的有机发光 EL 器件。