dibenzyl diethylmalonate | 442876-10-0

• 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: dibenzyl diethylmalonate
• 英文别名: benzyl diethylmalonate；Diethylmalonic Acid, Dibenzyl Ester；dibenzyl 2,2-diethylpropanedioate
• CAS: 442876-10-0
• 化学式: C₂₁H₂₄O₄
• 分子量: 340.419
• InChiKey: CWWCENRVNPSXAB-UHFFFAOYSA-N

物化性质

• 沸点：
  432.5±25.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  dibenzyl diethylmalonate 在 三乙酰氧基硼氢化钠 、 二异丁基氢化铝 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  CCR5 Antagonists:  3-(Pyrrolidin-1-yl)propionic Acid Analogues with Potent Anti-HIV Activity

  摘要：

  graphicA novel approach to alpha,alpha-disubstituted-beta-amino acids (beta(2,2)-amino acids) was employed in the synthesis of a series of 3-(pyrrolidin-1-yl)-propionic acids possessing high affinity for the CCR5 receptor and potent anti-HIV activity. The rat pharmacokinetics for these new analogues featured higher bioavailabilities and lower rates of clearance as compared to cyclopentane 1.

  DOI：

  10.1021/ol034707c
• 作为产物：
  描述：

  二苄基马来酸酯 、 碘乙烷 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以99%的产率得到dibenzyl diethylmalonate
  参考文献：
  名称：

  CCR5 Antagonists:  3-(Pyrrolidin-1-yl)propionic Acid Analogues with Potent Anti-HIV Activity

  摘要：

  graphicA novel approach to alpha,alpha-disubstituted-beta-amino acids (beta(2,2)-amino acids) was employed in the synthesis of a series of 3-(pyrrolidin-1-yl)-propionic acids possessing high affinity for the CCR5 receptor and potent anti-HIV activity. The rat pharmacokinetics for these new analogues featured higher bioavailabilities and lower rates of clearance as compared to cyclopentane 1.

  DOI：

  10.1021/ol034707c

文献信息

• Pyrrolidine modulators of ccr5 chemokine receptor activity
  申请人：——

  公开号：US20040087552A1

  公开（公告）日：2004-05-06

  Pyrrolidine compounds of Formula (I), (wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6a , R 6b , R 7 and R 8 are defined herein) are described. The compounds are modulators of CCR5 chemokine receptor activity. The compounds are useful, for example, in the prevention or treatment of infection by HIV and the treatment of AIDS, as compounds or pharmaceutically acceptable salts, or as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines. Methods of treating AIDS and methods of preventing or treating infection by HIV are also described. 1

  本文描述了化合物公式(I)的吡咯烷衍生物（其中R1、R2、R3、R4、R5、R6a、R6b、R7和R8在此定义）。这些化合物是CCR5趋化因子受体活性的调节剂。这些化合物可作为化合物或药学上可接受的盐，或作为药物组成部分，可选地与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用，例如用于预防或治疗HIV感染和治疗艾滋病。本文还描述了治疗艾滋病的方法和预防或治疗HIV感染的方法。
• SYNTHESIS OF A TETRAAMIDO MACROCYCLE LIGAND FROM A NOVEL DIAMIDODIOL
  申请人：THE CLOROX COMPANY

  公开号：US20020028970A1

  公开（公告）日：2002-03-07

  A new composition of matter for a diamidodiol and a method for preparing the diamidodiol. The exemplary diamidodiol has the formula C 15 H 30 N 2 O 4 and is prepared by reacting a first quantity of 2-amino-2-methyl-1-propanol with a second quantity of a di-substituted malonyl dichloride (i.e., diethylmalonyl dichloride), preferably in ethyl acetate as solvent. A tetraamido macrocycle is prepared from the diamidodiol in two steps by oxidizing the diamidodiol to form a diacid followed by coupling using a known procedure of the diacid with an aryl diamine (e.g., 1 ,2-diaminobenzene)to yield the tetraamido macrocycle.

  一种新的二酰胺二醇物质组合及其制备方法。示例的二酰胺二醇的化学式为C15H30N2O4，通过将第一量的2-氨基-2-甲基-1-丙醇与第二量的二取代马隆酰二氯化物（即二乙酰马隆酰二氯化物）在乙酸乙酯溶剂中反应制备而成。通过将二酰胺二醇氧化形成二酸，然后使用已知的方法将二酸与芳基二胺（例如1,2-二氨基苯）偶联，制备出四酰胺大环。
• Pyrrolidine modulators of CCR5 chemokine receptor activity
  申请人：——

  公开号：US20020094989A1

  公开（公告）日：2002-07-18

  Pyrrolidine compounds of Formula I: 1 (wherein 1 , R 2 , R 3 , R 4 , R 5 ,R 6a , R 6b , R 7 and R 8 are defined herein) are described. The compounds are modulators of CCR5 chemokine receptor activity. The compounds are useful, for example, in the prevention or treatment of infection by HIV and the treatment of AIDS, as compounds or pharmaceutically acceptable salts, or as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines. Methods of treating AIDS and methods of preventing or treating infection by HIV are also described.

  描述了式子I：1中的吡咯烷化合物（其中1、R2、R3、R4、R5、R6a、R6b、R7和R8在此定义）。这些化合物是CCR5趋化因子受体活性的调节剂。这些化合物可用于预防或治疗HIV感染和治疗艾滋病，作为化合物或药物可接受的盐，或作为制药组合物的成分，可选择与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。还描述了治疗艾滋病的方法和预防或治疗HIV感染的方法。
• PYRROLIDINE MODULATORS OF CCR5 CHEMOKINE RECEPTOR ACTIVITY
  申请人：Merck & Co., Inc.

  公开号：EP1326619A2

  公开（公告）日：2003-07-16
• US5929243A
  申请人：——

  公开号：US5929243A

  公开（公告）日：1999-07-27