2,6-diisopropylbenzoyl chloride | 85374-63-6

• 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: 2,6-diisopropylbenzoyl chloride
• 英文别名: 2,6-Di(propan-2-yl)benzoyl chloride
• CAS: 85374-63-6
• 化学式: C₁₃H₁₇ClO
• 分子量: 224.73
• InChiKey: XVNCRTSUAIIOKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,6-diisopropylbenzoyl chloride 以80%的产率得到
  参考文献：
  名称：

  EFFENBERGER, F.;EPPLE, G.;EBERHARD, J. K.;BUEHLER, U.;SOHN, E., CHEM. BER., 1983, 116, N 3, 1183-1194

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴-1,3-二异丙基苯 在 氯化亚砜 作用下， 生成 2,6-diisopropylbenzoyl chloride
  参考文献：
  名称：

  Fleurke,K.H. et al., Recueil des Travaux Chimiques des Pays-Bas, 1962, vol. 81, p. 93 - 101

  摘要：

  DOI：

文献信息

• New building blocks for the assembly of sequence selective molecular zippers
  作者：Chistopher A. Hunter、Philip S. Jones、Pascale M. N. Tiger、Salvador Tomas

  DOI：10.1039/b304041k

  日期：——

  Synthetic H-bonded molecular zippers contain no sequence information that can be used to engineer the selective binding interactions characteristic of biopolymers; reversing the sense of the amide bonds in the two binding partners generates a new orthogonal recognition motif and the mutually complementary binding partners form complexes an order of magnitude more stable than the corresponding mismatch complexes.

  合成氢键分子拉链不包含可用于设计生物聚合物选择性结合相互作用特征的序列信息；反转两个结合配偶体中酰胺键的方向会产生一个新的正交识别基序，并且相互互补的结合配偶体形成的复合物比相应的错配复合物更稳定一个数量级。
• Phosphonamide ACAT inhibitors
  申请人：Warner-Lambert Company

  公开号：US05807846A1

  公开（公告）日：1998-09-15

  The present invention is directed to compounds useful for the regulation of cholesterol of Formula I, methods for using them and pharmaceutical compositions thereof, ##STR1## wherein Ar and Ar.sup.1 are each independently selected from unsubstituted or substituted phenyl which substituents are from 1-5 in number and are each independently selected from alkyl, alkoxy, hydroxy, halogen, nitro, trifluoromethyl, COOH, and COOalkyl; X is --NH--, --O--, --S--, or --(CH.sub.2).sub.0-4 --, and R is hydrogen, alkyl, or phenyl.

  本发明涉及一种用于调节胆固醇的化合物，其化学式为I，以及使用它们的方法和药物组合物，其中Ar和Ar.sup.1各自独立地选择自未取代或取代的苯基，所述取代基的数量为1-5，并且各自独立地选择自烷基、烷氧基、羟基、卤素、硝基、三氟甲基、COOH和COO烷基；X为--NH--、--O--、--S--或--(CH.sub.2).sub.0-4 --，R为氢、烷基或苯基。
• 1H-pyrrolo [1, 2-b][1, 2, 4] Triazole derivatives and their preparation via 1H-1,2,4-triazole derivatives
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：EP0714892A1

  公开（公告）日：1996-06-05

  The novel 1H-pyrrolo[1,2-b][1,2,4]triazole derivative represented by formula (III) wherein R₁ represents an aliphatic group which may be substituted or an aryl group which may be substituted; R₂ and R₃ each represents an electron-withdrawing group having a Hammett's substituent constant σp of from 0.2 to 1.0; Y represents -C(=O)-R₅, -SO₂R₆ or -P(=O)(R₇)(R₈), wherein R₅, R₇ and R₈ each represents a hydrogen atom, an aliphatic group which may be substituted, an aryl group which may be substituted, an aliphatic oxy group which may be substituted, an aryloxy group which may be substituted, or a group represented by -N(Ra')Ra, and R₇ and R₈ may be bonded to each other to form a ring; and R₆ represents an aliphatic group which may be substituted, an aryl group which may be substituted, or a group represented by -N(Ra')Ra, and wherein Ra and Ra' each represents a hydrogen atom, an aliphatic group which may be substituted, or an aryl group which may be substituted, and Ra and Ra' may be bonded to each other to form a ring, which is useful as an intermediate for physiologically active substances can be efficiently synthesized by using as intermediates the novel 1H-1,2,4-triazole derivatives represented by formulae (I) and (II) wherein R₁ represents an aliphatic group which may be substituted or an aryl group which may be substituted; R₂ and R₃ each represents an electron-withdrawing group having a Hammett's substituent constant σp of from 0.2 to 1.0; R₄ represents a hydrogen atom, an aliphatic group, or an aryl group; and X represents a halogen atom. The 1H-pyrrolo[1,2-b][1,2,4]triazole derivative represented by formula (III) according to the present invention has a pKa value higher by about 1 than that of the 5-chloro-substituted corresponding compound and is thermally stable.

  式 (III) 所代表的新型 1H-吡咯并[1,2-b][1,2,4]三唑衍生物 其中 R₁ 代表可被取代的脂肪族基团或可被取代的芳基基团；R₂ 和 R₃ 各自代表具有 0.2 至 1.0 的哈米特取代常数 σp 的抽电子基团；Y 代表 -C(=O)-R₅、-SO₂R₆ 或 -P(=O)(R₇)(R₈)、 其中 R₅、R₇ 和 R₈ 各自代表一个氢原子、一个可被取代的脂肪族基团、一个可被取代的芳基、一个可被取代的脂肪族氧基、一个可被取代的芳氧基或一个由-N(Ra')Ra 代表的基团，且 R₇ 和 R₈ 可相互键合形成一个环；和 R₆ 代表可被取代的脂肪族基团、可被取代的芳基或由-N(Ra')Ra 代表的基团，其中 Ra 和 Ra'各自代表氢原子、可被取代的脂肪族基团或可被取代的芳基、以式 (I) 和 (II) 所代表的新型 1H-1,2,4-三唑衍生物为中间体，可高效合成用作生理活性物质中间体的环。 其中 R₁ 代表可被取代的脂肪族基团或可被取代的芳基基团；R₂ 和 R₃ 各自代表具有 0.2 至 1.0 的 Hammett 取代基常数 σp 的抽电子基团；R₄ 代表氢原子、脂肪族基团或芳基基团；以及 X 代表卤素原子。 根据本发明的式 (III) 所代表的 1H-吡咯并[1,2-b][1,2,4]三唑衍生物的 pKa 值比 5-氯取代的相应化合物的 pKa 值高约 1，且热稳定。
• Inhibitors of Acyl-CoA:Cholesterol O-acyltransferase (ACAT) as hypocholesterolemic agents: Synthesis and structure-activity relationships of novel series of sulfonamides, acylphosphonamides and acylphosphoramidates
  作者：H.T Lee、W.H Roark、J.A Picard、D.R Sliskovic、B.D Roth、R.L Stanfield、K.L Hamelehle、R.F Bousley、B.R Krause

  DOI：10.1016/s0960-894x(98)00011-0

  日期：1998.2

  Sulfoacetic acid, phosphoramidate, and phosphonamide analogs of the ACAT inhibitors, CI-999 and CI-1011 were synthesized. The structure-activity relationships of these compounds as ACAT inhibitors are described. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Effenberger, Franz; Epple, Gerhard; Eberhard, Joachim K., Chemische Berichte, 1983, vol. 116, # 3, p. 1183 - 1194
  作者：Effenberger, Franz、Epple, Gerhard、Eberhard, Joachim K.、Buehler, Ulrich、Sohn, Erich

  DOI：——

  日期：——