phenyl 3,3-dimethylbutyrate | 14392-86-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: phenyl 3,3-dimethylbutyrate
• 英文别名: phenyl 3,3-dimethylbutanoate；3,3-dimethyl-butyric acid phenyl ester；3,3-Dimethyl-buttersaeure-phenylester
• CAS: 14392-86-0
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: GZWLSFHZUIUOBB-UHFFFAOYSA-N

物化性质

• 熔点：
  100-106 °C
• 沸点：
  256.0±9.0 °C(Predicted)
• 密度：
  0.995±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  phenyl 3,3-dimethylbutyrate 在 [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II) 氢溴酸 、 氢气 、 (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl 、 lithium diisopropyl amide 作用下， 以 甲醇 为溶剂， 50.0 ℃ 、5.0 MPa 条件下， 反应 192.0h， 生成 syn-2,2,8,8-tetramethyl-4,6-nonanediol
  参考文献：
  名称：

  关于手性1,2-双（膦基）苯的合成和性质的其他数据

  摘要：

  手性，C 2对称的1,2-双（膦基）苯2的合成已扩展至苄基取代的衍生物2c（R = CH 2 Ph）。分离出了稳定的含配体2的钌和钯配合物。已经对2a的单硼烷加合物（R = i- Pr）和2b的钯（II）配合物（R = Me）进行了X射线衍射研究。

  DOI：

  10.1016/s0040-4020(99)00777-2
• 作为产物：
  描述：

  3,3-二甲基-1-苯基-1-丁酮 在 disodium hydrogenphosphate 、 二氯甲烷 、 三氟过氧乙酸 作用下， 生成 phenyl 3,3-dimethylbutyrate
  参考文献：
  名称：

  A Re-examination of the Peroxyacid Cleavage of Ketones. I. Relative Migratory Aptitudes

  摘要：

  DOI：

  10.1021/ja01556a057

文献信息

• Highly Active Manganese-Mediated Acylation of Alcohols with Acid Chlorides or Anhydrides
  作者：Seung-Hoi Kim、Seong-Ryu Joo、Young-Jin Youn、Young-Ran Hwang

  DOI：10.1055/s-0036-1590973

  日期：2017.12

  To explore further the practical uses of highly active manganese (Mn*), a variety of alcohols were treated with Mn*, and the resulting complexes were coupled with acid chlorides and/or acetic anhydride in the absence of any extra catalyst. The subsequent reactions took place smoothly under mild conditions, providing the corresponding O-acylation products in good to excellent isolated yields.

  为了进一步探索高活性锰 (Mn*) 的实际用途，用 Mn* 处理各种醇，在没有任何额外催化剂的情况下，将所得配合物与酰氯和/或乙酸酐偶联。随后的反应在温和的条件下顺利进行，提供了相应的 O-酰化产物，分离产率良好至极好。
• Acylation of metal chelates. Part III. Steric effects of the β-diketone ligand
  作者：D. C. Nonhebel、John Smith

  DOI：10.1039/j39670001919

  日期：——

  The effect of bulky alkyl groups in the β-diketone ligand in the reactions of metal chelates of β-diketones with benzoyl chloride has been examined. Bulky alkyl groups α to the carbonyl group increase the amount of C-benzoylation though anomalously less of this product is formed from chelates of dipivaloylmethane than from those of di-isobutyrylmethane. An explanation for this anomaly is proposed.

  在β-二酮的金属螯合物与苯甲酰氯的反应中，已经研究了β-二酮配体中大体积烷基的影响。相对于羰基的大烷基α增加了C-苯甲酰化的量，尽管由二新戊酰基甲烷的螯合物形成的产物反而比由二异丁酰甲烷的产物少。提出了对此异常的解释。
• Ketone compounds and compositions for cholesterol management and related uses
  申请人：Dasseux Henri Jean-Louis

  公开号：US20070155704A1

  公开（公告）日：2007-07-05

  The present invention relates to novel ketone compounds, compositions comprising ketone compounds, and methods useful for treating and preventing cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders comprising administering a composition comprising a ketone compound. The compounds, compositions, and methods of the invention are also useful for treating and preventing Alzheimer's Disease, Syndrome X, peroxisome proliferator activated receptor-related disorders, septicemia, thrombotic disorders, obesity, pancreatitis, hypertension, renal disease, cancer, inflammation, and impotence. In certain embodiments, the compounds, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.

  本发明涉及新的酮类化合物、包含酮类化合物的组合物、以及用于治疗和预防心血管疾病、血脂异常、蛋白质异常和葡萄糖代谢紊乱的方法，包括给予含有酮类化合物的组合物。本发明的化合物、组合物和方法还可用于治疗和预防阿尔茨海默病、X综合征、过氧化物酶体增殖物激活受体相关疾病、败血症、血栓性疾病、肥胖症、胰腺炎、高血压、肾脏疾病、癌症、炎症和阳痿。在某些实施例中，本发明的化合物、组合物和方法可与其他治疗药物（如降胆固醇和降血糖药物）联合使用。
• KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES
  申请人：Dasseux Henri Jean-Louis

  公开号：US20070149615A9

  公开（公告）日：2007-06-28

  The present invention relates to novel ketone compounds, compositions comprising ketone compounds, and methods useful for treating and preventing cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders comprising administering a composition comprising a ketone compound. The compounds, compositions, and methods of the invention are also useful for treating and preventing Alzheimer's Disease, Syndrome X, peroxisome proliferator activated receptor-related disorders, septicemia, thrombotic disorders, obesity, pancreatitis, hypertension, renal disease, cancer, inflammation, and impotence. In certain embodiments, the compounds, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.

  本发明涉及新型酮类化合物、包含酮类化合物的组合物以及用于治疗和预防心血管疾病、脂质代谢异常、蛋白质代谢异常和葡萄糖代谢紊乱的方法，其中包括给予含有酮类化合物的组合物。本发明的化合物、组合物和方法还可用于治疗和预防阿尔茨海默病、X综合征、过氧化物酶体增殖物激活受体相关疾病、败血症、血栓性疾病、肥胖症、胰腺炎、高血压、肾脏疾病、癌症、炎症和阳痿。在某些实施例中，本发明的化合物、组合物和方法可与其他治疗剂（如降胆固醇和降血糖药物）联合治疗。
• Phenylalkyl Substituted Heteroaryl Derivatives
  申请人：Lyga John W.

  公开号：US20100152045A1

  公开（公告）日：2010-06-17

  Certain novel phenylalkyl substituted azole derivatives have unexpected insecticidal activity. These compounds are represented by formula I: where A, B, D, E, G, a, b, c, d, and R through R 11 , inclusively, are folly described herein. In addition, compositions comprising an insecticidally effective amount of at least one compound of formula I, and optionally, an effective amount of at least one of a second compound, with at least one insecticidally compatible carrier are also disclosed; along with methods of controlling insects comprising applying said compositions to a locus where insects are present or are expected to be present.

  某些新型苯基烷基取代的唑类衍生物具有意外的杀虫活性。这些化合物由公式I表示：其中A、B、D、E、G、a、b、c、d和R到R11，包括在内，均在此详细描述。此外，还揭示了包含公式I至少一种化合物的杀虫有效量的组合物，以及可选地，至少一种第二化合物的有效量，与至少一种杀虫兼容载体; 以及应用所述组合物控制昆虫的方法，将其应用于昆虫存在或预计存在的地点。