2,2-Bis[(4-methylphenyl)methyl]propane-1,3-diol | 1046446-20-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2,2-Bis[(4-methylphenyl)methyl]propane-1,3-diol
• 英文别名: 2,2-bis[(4-methylphenyl)methyl]propane-1,3-diol
• CAS: 1046446-20-1
• 化学式: C₁₉H₂₄O₂
• 分子量: 284.398
• InChiKey: MOAWFHBVKJDIOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-Bis[(4-methylphenyl)methyl]propane-1,3-diol 在 四溴化碳 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 1-[2,2-Bis(bromomethyl)-3-(4-methylphenyl)propyl]-4-methylbenzene
  参考文献：
  名称：

  Radical 3-exo-tet cyclization of 1,3-dihalopropanes with SmI2 to form cyclopropanes

  摘要：

  The preparation of 1,1-disubstituted and monosubstituted cycloproparres from corresponding 2,2-disubstituted and 2-monosubstituted 1,3-dihalopropanes, respectively, with SMI2 in THF was efficiently carried out. The reaction mechanism was proposed to proceed in a radical 3-exo-tet manner based on Baldwin's rule. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.081
• 作为产物：
  描述：

  dimethyl 2,2-bis(4-methylbenzyl)malonate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 生成 2,2-Bis[(4-methylphenyl)methyl]propane-1,3-diol
  参考文献：
  名称：

  Radical 3-exo-tet cyclization of 1,3-dihalopropanes with SmI2 to form cyclopropanes

  摘要：

  The preparation of 1,1-disubstituted and monosubstituted cycloproparres from corresponding 2,2-disubstituted and 2-monosubstituted 1,3-dihalopropanes, respectively, with SMI2 in THF was efficiently carried out. The reaction mechanism was proposed to proceed in a radical 3-exo-tet manner based on Baldwin's rule. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.081

文献信息

• Macrocyclic Complexes Derived from Four <i>cis</i> ‐L ₂ Pt Corners and Four Butadiynediyl Linkers; Syntheses, Electronic Structures, and Square versus Skew Rhombus Geometries
  作者：Brenna K. Collins、Melissa Clough Mastry、Andreas Ehnbom、Nattamai Bhuvanesh、Michael B. Hall、John A. Gladysz

  DOI：10.1002/chem.202100305

  日期：2021.7.12

  dialkyl malonate derived 1,3-diphosphines R2C(CH2PPh2)2 (R=a, Me; b, Et; c, n-Bu; d, n-Dec; e, Bn; f, p-tolCH2) are combined with (p-tol3P)2PtCl2 or trans-(p-tol3P)2Pt((C≡C)2H)2 to give the chelates cis-(R2C(CH2PPh2)2)PtCl2 (2 a–f, 94–69 %) or cis-(R2C(CH2PPh2)2)Pt((C≡C)2H)2 (3 a–f, 97–54 %). Complexes 3 a–d are also available from 2 a–d and excess 1,3-butadiyne in the presence of CuI (cat.) and excess

  所述丙二酸二烷基酯衍生的1,3-二膦- [R 2 C（CH 2 PPH 2）2（R =一个中，Me; b，等; Ç，Ñ -Bu; d，Ñ -癸; ê，BN; ˚F，p - tolCH 2 ) 与 ( p -tol 3 P) 2 PtCl 2或反式-( p- tol 3 P) 2 Pt((C≡C) 2 H) 2 结合，得到螯合物顺式-(R 2 C(CH 2 PPh 2 ) 2 )PtCl 2 ( 2 a – f , 94–69 %) 或顺式-(R 2 C(CH 2 PPh 2 ) 2 )Pt((C≡C) 2 H ) 2 ( 3 a – f , 97–54 %)。在 CuI（催化剂）和过量 HNEt 2（87-65%）存在下，配合物3 a - d也可从2 a - d和过量 1,3-丁二炔中获得。在类似条件下，2和3反应得到标题化合物 [(R 2 C(CH 2 PPh 2 ) 2 )[Pt(C≡C)
• THERMALLY STABLE ALIGNMENT MATERIALS
  申请人：ROLIC AG

  公开号：US20170362381A1

  公开（公告）日：2017-12-21

  A thermally stable diamine compound of formula (I′) is proposed as well as polymers, copolymers, polyamic acids, polyamic acid esters, or polyimides based on such compound. Also, a process of preparing orientation layers for liquid crystals including preparing orientation layers for liquid crystals from thermally stable alignment materials comprising diamine compounds of formula (I′).
• US8557922B2
  申请人：——

  公开号：US8557922B2

  公开（公告）日：2013-10-15
• Radical 3-exo-tet cyclization of 1,3-dihalopropanes with SmI2 to form cyclopropanes
  作者：Tsuyoshi Ohkita、Yuhsuke Tsuchiya、Hideo Togo

  DOI：10.1016/j.tet.2008.05.081

  日期：2008.7

  The preparation of 1,1-disubstituted and monosubstituted cycloproparres from corresponding 2,2-disubstituted and 2-monosubstituted 1,3-dihalopropanes, respectively, with SMI2 in THF was efficiently carried out. The reaction mechanism was proposed to proceed in a radical 3-exo-tet manner based on Baldwin's rule. (c) 2008 Elsevier Ltd. All rights reserved.