oxalic acid isobutyl ester | 75235-29-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: oxalic acid isobutyl ester
• 英文别名: 2-(2-Methylpropoxy)-2-oxoacetic acid
• CAS: 75235-29-9
• 化学式: C₆H₁₀O₄
• mdl: MFCD19231904
• 分子量: 146.143
• InChiKey: VMPGLVWHLGOGIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-bromo-1-(bromomethyl)-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile 、 oxalic acid isobutyl ester 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以19.7%的产率得到2-O-[[4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl]methyl] 1-O-(2-methylpropyl) oxalate
  参考文献：
  名称：

  Synthesis, Crystal Structure, and Insecticidal Activity of Novel N-Alkyloxyoxalyl Derivatives of 2-Arylpyrrole

  摘要：

  Two series of novel N-alkyloxyoxalyl derivatives of 2-arylpyrrole were synthesized, and their structures were characterized by (1)H NMR spectroscopy, elemental analysis, and single-crystal X-ray diffraction analysis. The insecticidal activities of the new compounds were evaluated. The results of bioassays indicated that some of these title compounds exhibited excellent insecticidal activities, and their insecticidal activities against oriental armyworm, mosquito, and spider mite are comparable to those of the commercialized Chlorfenapyr.

  DOI：

  10.1021/jf801311h
• 作为产物：
  描述：

  chlorooxoacetic acid isobutyl ester 在 水 作用下， 生成 oxalic acid isobutyl ester
  参考文献：
  名称：

  Synthesis, Crystal Structure, and Insecticidal Activity of Novel N-Alkyloxyoxalyl Derivatives of 2-Arylpyrrole

  摘要：

  Two series of novel N-alkyloxyoxalyl derivatives of 2-arylpyrrole were synthesized, and their structures were characterized by (1)H NMR spectroscopy, elemental analysis, and single-crystal X-ray diffraction analysis. The insecticidal activities of the new compounds were evaluated. The results of bioassays indicated that some of these title compounds exhibited excellent insecticidal activities, and their insecticidal activities against oriental armyworm, mosquito, and spider mite are comparable to those of the commercialized Chlorfenapyr.

  DOI：

  10.1021/jf801311h

文献信息

• Tetrahydroquinoline compounds
  申请人：——

  公开号：US20030216428A1

  公开（公告）日：2003-11-20

  Tetrahydroquinoline compounds of general formula (I) or pharmacologically acceptable salts thereof, which have a specific and strong binding affinity for AR, exhibit AR agonism or antagonism, have therapeutic effects on AR-mediated diseases, particularly by not acting excessively on the prostate as AR agonists, but by showing potent action on skeletal muscle tissue and bone tissue; and pharmaceutical compositions comprising the compounds or the salts as active ingredients: 1

  通式（I）的四氢喹啉化合物或其药理学上可接受的盐具有对AR的特异性和强烈的结合亲和力，表现出AR的激动或拮抗作用，对AR介导的疾病具有治疗效果，特别是对骨骼肌组织和骨组织具有强效作用，但作为AR激动剂不会过度作用于前列腺，以及包含这些化合物或盐作为活性成分的制药组合物。
• TETRAHYDROQUINOLINE COMPOUNDS
  申请人：Kaken Pharmaceutical Co., Ltd.

  公开号：EP1325914A1

  公开（公告）日：2003-07-09

  Tetrahydroquinoline compounds of general formula (I) or pharmacologically acceptable salts thereof, which have a specific and strong binding affinity for AR, exhibit AR agonism or antagonism, have therapeutic effects on AR-mediated diseases, particularly by not acting excessively on the prostate as AR agonists, but by showing potent action on skeletal muscle tissue and bone tissue; and pharmaceutical compositions comprising the compounds or the salts as active ingredients:

  通式(I)的四氢喹啉化合物或其药理学上可接受的盐类，它们与AR具有特异性强的结合亲和力，表现出AR激动或拮抗作用，对AR介导的疾病具有治疗作用，特别是作为AR激动剂不会对前列腺产生过度作用，但对骨骼肌组织和骨组织表现出强效作用；以及包含这些化合物或盐类作为活性成分的药物组合物：
• TETRAHYDROQUINOLINE DERIVATIVES
  申请人：KAKEN PHARMACEUTICAL CO., LTD.

  公开号：EP1221439B1

  公开（公告）日：2007-01-03
• Cosmetic Hair Preparation
  申请人：Satou Nobuyasu

  公开号：US20070275022A1

  公开（公告）日：2007-11-29

  One or more esters selected among an ester of a C 2-10 fatty acid with a polyhydric alcohol, an ester of a monobasic hydroxy acid with a mono- or polyhydric alcohol, and an ester of a polybasic acid with a mono- or polyhydric alcohol are incorporated into a cosmetic hair preparation comprising a crystalline compound and a solvent in which the compound dissolves. Due to this, the crystalline compound is inhibited from crystallizing/precipitating at low temperatures and the preparation can give an improved use feeling during use.
• US6777427B2
  申请人：——

  公开号：US6777427B2

  公开（公告）日：2004-08-17