diethyl 5-tert-butylisophthalate | 64148-47-6

• 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: diethyl 5-tert-butylisophthalate
• 英文别名: 5-t-Butylisophthalsaeurediethylester；Diethyl 5-tert-butylbenzene-1,3-dicarboxylate
• CAS: 64148-47-6
• 化学式: C₁₆H₂₂O₄
• 分子量: 278.348
• InChiKey: BZHLXVKJKZXQIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  diethyl 5-tert-butylisophthalate 在 sodium hydride 、 一水合肼 作用下， 以 四氢呋喃 、 乙醇 、 mineral oil 为溶剂， 反应 4.83h， 生成 5-tert-butyl-3-[3-tert-butyl-5-(5-tert-butyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
  参考文献：
  名称：

  带有质子吡唑臂的NCN钳型钌和铱配合物的合成与结构

  摘要：

  The reaction of the 1,3-bis(pyrazol-3-y1)benzenes 1 with [RuC1(OAc)(PPh3)3] resulted in selective C-H cleavage at the 2-position of 1 to give the protic NCN pincer-type ruthenium(II) complexes [RuCl(R-NCN-LH2)-(PPh3)2] (2; R-NCN-LH2 = 4-R-2,6-bis(5-tert-buty1-1H-pyrazol-3-yl)pheny1). Similar cyclometalation with iridium tri-chloride followed by addition of triphenylphosphine led to the formation of the iridium(III) analogue [IrCI(Bu-t-NCN-LH2)(PPh3)]Cl (5). Treatment of the ruthenium complexes 2 with carbon monoxide afforded the carbonyl complexes [Ru( CO) (R-NCN-LH2) (PPh3)2] CI (4). On the other hand, the pyridine analogue of 1, 2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)pyridine (NNN-LH2), reacted with iridium trichloride to yield the protic NNN pincer-type complex [IrC1(3)(NNN-LH3)] (7). The stronger r donation of the NCN pincer-type ligand in comparison with the analogous NNN ligand was suggested by the CO stretching frequencies of the ruthenium carbonyl complexes 4 as well as the M-Cl distances. The catalytic activity of the ruthenium complexes 2a,b toward transfer hydrogenation of a ketone was also evaluated.

  DOI：

  10.1021/acs.organomet.7b00065
• 作为产物：
  描述：

  乙醇 、 5-叔丁基-1,3-苯二羧酸 在 硫酸 作用下， 反应 6.0h， 以11 g的产率得到diethyl 5-tert-butylisophthalate
  参考文献：
  名称：

  带有质子吡唑臂的NCN钳型钌和铱配合物的合成与结构

  摘要：

  The reaction of the 1,3-bis(pyrazol-3-y1)benzenes 1 with [RuC1(OAc)(PPh3)3] resulted in selective C-H cleavage at the 2-position of 1 to give the protic NCN pincer-type ruthenium(II) complexes [RuCl(R-NCN-LH2)-(PPh3)2] (2; R-NCN-LH2 = 4-R-2,6-bis(5-tert-buty1-1H-pyrazol-3-yl)pheny1). Similar cyclometalation with iridium tri-chloride followed by addition of triphenylphosphine led to the formation of the iridium(III) analogue [IrCI(Bu-t-NCN-LH2)(PPh3)]Cl (5). Treatment of the ruthenium complexes 2 with carbon monoxide afforded the carbonyl complexes [Ru( CO) (R-NCN-LH2) (PPh3)2] CI (4). On the other hand, the pyridine analogue of 1, 2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)pyridine (NNN-LH2), reacted with iridium trichloride to yield the protic NNN pincer-type complex [IrC1(3)(NNN-LH3)] (7). The stronger r donation of the NCN pincer-type ligand in comparison with the analogous NNN ligand was suggested by the CO stretching frequencies of the ruthenium carbonyl complexes 4 as well as the M-Cl distances. The catalytic activity of the ruthenium complexes 2a,b toward transfer hydrogenation of a ketone was also evaluated.

  DOI：

  10.1021/acs.organomet.7b00065

文献信息

• Thermally stable Diels–Alder polymer using an azodicarbonyl compound as the dienophile
  作者：Masayoshi Sakurai、Nobuhiro Kihara

  DOI：10.1016/j.polymer.2019.01.071

  日期：2019.3

  A novel Diels–Alder polymerization system was developed, using an azodicarbonyl compound as the dienophile. A bis(azodicarbonyl) monomer was prepared by quantitative oxidation of bis(diacylhydrazine) with tBuOCl in the presence of pyridine. Diels–Alder polymerization was carried out with a bisdiene monomer, using AgOTf as the catalyst. High thermal stability of the polymer is characteristic for the

  使用偶氮二羰基化合物作为亲二烯体，开发了一种新型的Diels-Alder聚合系统。通过在吡啶存在下用t BuOCl对双（二酰基肼）进行定量氧化来制备双（偶氮二羰基）单体。Diels–Alder聚合反应是使用AgOTf作为催化剂，使用双二烯单体进行的。聚合物的高热稳定性是该Diels-Alder聚合体系产物的特征，其中Diels-Alder反应是不可逆的。Diels–Alder聚合物中的C = C键可以通过臭氧分解作用裂解成聚酮。
• CHROMAN DERIVATIVES AS TRPM8 INHIBITORS
  申请人：AMGEN INC.

  公开号：US20150031668A1

  公开（公告）日：2015-01-29

  Chroman compounds and derivatives of Formula I are useful inhibitors of TRPM8. Such compounds are useful in treating a number of TRPM8 mediated disorders and conditions and may be used to prepare medicaments and pharmaceutical compositions useful for treating such disorders and conditions. Examples of such disorders include, but are not limited to, migraines and neuropathic pain. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

  公式I的铬化合物和衍生物是TRPM8的有用抑制剂。这些化合物可用于治疗许多TRPM8介导的疾病和情况，并可用于制备用于治疗这些疾病和情况的药物和制剂。这些疾病的例子包括但不限于偏头痛和神经病性疼痛。公式I的化合物具有以下结构：其中变量的定义在此提供。
• Synthesis and Structures of NCN Pincer-Type Ruthenium and Iridium Complexes Bearing Protic Pyrazole Arms
  作者：Tatsuro Toda、Koki Saitoh、Akihiro Yoshinari、Takao Ikariya、Shigeki Kuwata

  DOI：10.1021/acs.organomet.7b00065

  日期：2017.3.27

  The reaction of the 1,3-bis(pyrazol-3-y1)benzenes 1 with [RuC1(OAc)(PPh3)3] resulted in selective C-H cleavage at the 2-position of 1 to give the protic NCN pincer-type ruthenium(II) complexes [RuCl(R-NCN-LH2)-(PPh3)2] (2; R-NCN-LH2 = 4-R-2,6-bis(5-tert-buty1-1H-pyrazol-3-yl)pheny1). Similar cyclometalation with iridium tri-chloride followed by addition of triphenylphosphine led to the formation of the iridium(III) analogue [IrCI(Bu-t-NCN-LH2)(PPh3)]Cl (5). Treatment of the ruthenium complexes 2 with carbon monoxide afforded the carbonyl complexes [Ru( CO) (R-NCN-LH2) (PPh3)2] CI (4). On the other hand, the pyridine analogue of 1, 2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)pyridine (NNN-LH2), reacted with iridium trichloride to yield the protic NNN pincer-type complex [IrC1(3)(NNN-LH3)] (7). The stronger r donation of the NCN pincer-type ligand in comparison with the analogous NNN ligand was suggested by the CO stretching frequencies of the ruthenium carbonyl complexes 4 as well as the M-Cl distances. The catalytic activity of the ruthenium complexes 2a,b toward transfer hydrogenation of a ketone was also evaluated.