2,4-diethynyl-1,3,5-trimethyl-benzene | 54407-99-7

• 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: 2,4-diethynyl-1,3,5-trimethyl-benzene
• 英文别名: HCC(1,3-(C6HMe3-2,4,6))CCH；1,3,5-Trimethyl-2,4-diethinylbenzol；Diethynylmesitylene；2,4-diethynyl-1,3,5-trimethylbenzene
• CAS: 54407-99-7
• 化学式: C₁₃H₁₂
• 分子量: 168.238
• InChiKey: UJUMZTFSNIYWIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,4-diethynyl-1,3,5-trimethyl-benzene 在 镍 氢气 作用下， 生成 Diethylmesitylen
  参考文献：
  名称：

  Acetylenic derivatives of mesitylene and phloroglucinol

  摘要：

  DOI：

  10.1007/bf00922800
• 作为产物：
  描述：

  diacetylmesitylene 生成 2,4-diethynyl-1,3,5-trimethyl-benzene
  参考文献：
  名称：

  Acetylenic derivatives of mesitylene and phloroglucinol

  摘要：

  DOI：

  10.1007/bf00922800

文献信息

• New arenediethynylgold(I) complexes. Crystal structures of [Ph3PAuCC(phenylendiyl-1,3)CCAuPPh3] and [Ph3PAuCC(mesitylendiyl-1,3)CCAuPPh3]
  作者：José Vicente、Marı́a Teresa Chicote、Miguel M. Alvarez-Falcón、Marı́a-Dolores Abrisqueta、Francisco J. Hernández、Peter G. Jones

  DOI：10.1016/s0020-1693(02)01443-3

  日期：2003.4

  with 2 equiv. of [AuCl(CNtBu)] in the presence of NEt3. By reacting the appropriate diethynylarene with 2 equiv. of [Au(acac)PPh3], complexes [Ph3PAuCC(Ar)CCAuPPh3] [Ar=mphen (9), mes (10)] were prepared. The carbene complex [(tBuNH)(Et2N)CAuCC(mes)CCAuC(NHtBu)(NEt2)] (11) was obtained by reacting the corresponding isocyanide complex 4 with diethylamine. The crystal structures of complexes 9 and

  通过使二元炔HCC（Ar）CCH[Ar = 1,3-C6H4（mphen），1,3-（C6HMe3-2,4,6）（mes），1,4-（C6Me4-2 ，3,5,6）（dur）]与[AuClL] [L =二甲基硫醚（dms），四氢噻吩（tht）]在过量Et3N的存在下形成聚合物络合物[AuCC（Ar）CCAu]制备n [Ar ＝ mphen（1），mes（2）dur（3）]。当这些配合物与两个当量的膦或异氰酸酯配体（L）反应时，配合物[LAuCC（Ar）CCAuL] [Ar ＝ mes，L ＝ tBuNC（4），XyNC（5）； m ＝ 1。制备了高收率的Ar ＝ dur，L ＝ PPh 3（6），tBuNC（7）。配合物[tBuNCAuCC（mphen）CCAuCNtBu]（8）是通过使相应的二乙炔基芳烃与2当量反应制备的。NEt3存在下[AuCl（CNtBu）]的合成。通
• The first anionic arenediethynylgold(I) complexes
  作者：José Vicente、Marı́a Teresa Chicote、Marı́a Dolores Abrisqueta、Miguel M Alvarez-Falcón

  DOI：10.1016/s0022-328x(02)01621-2

  日期：2002.12

  We report synthetic methods for the preparation of mono-, di-, tri- and polyanionic alkynylgold(l) complexes, derived from diethynylarenes. The reaction between PPN[Au(acac)(2)] and 1,3-diethynylbenzene [HC drop C(mphen)C drop CH] (1:1 M ratio) afforded the polymeric complex (PPN)(n)[AuC drop C(mphen)C drop C}](n), (1) while the monomeric complexes (PPN)[AuC-C(Ar)C-CH}(2)] [Ar = mphen (2), mes (3)] resulted when the same dialkyne or 1,3-diethynylmesitylene [HC drop C(mes)C drop CH] were used in a 1:2 M ratio. Complexes PPN[XAuC drop C(Ar)C drop CH] [Ar = mphen, X = Cl (4), Ar = mes, X = Cl (5), SCN (6)] were obtained from the metathesis reactions between complexes 2 or 3 and the appropriate PPN[AuX2] salts. The C drop CH groups in complexes 2 or 4 are acidic enough as to react with [Au(acac)PPh3] (1:2) or with PPN[Au(acac)(2)] (1:1) to give complexes PPN[AufC drop C(mphen)C drop CAuPPh3)(2)] (7) or (PPN)(3)[AuC drop C(mphen)C drop CAuCl}(2)] (8), respectively. Complexes (PPN)2[XAuC drop C(Ar)C drop CAuX)] [Ar=mphen, X = Cl (9); Ar = mes, X = Cl (10), SCN (11)] have been prepared by reacting [Ph3PAuC drop C(mphen)C drop CAuPPh3] with PPN[AUCl(2)](1:2) (9) or [AuC drop C(mes)C drop CAu](n) with the appropriate PPNX (1:2) salt (10, 11). (C) 2002 Elsevier Science B.V. All rights reserved.