4-仲-丁基苯甲酰基氯化物 | 86156-81-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 4-仲-丁基苯甲酰基氯化物
• 英文名称: (+/-)-4-sec-butyl-benzoic acid-chloride
• 英文别名: (+/-)-4-sec-Butyl-benzoesaeure-chlorid；4-(Butan-2-yl)benzoyl chloride；4-butan-2-ylbenzoyl chloride
• CAS: 86156-81-2
• 化学式: C₁₁H₁₃ClO
• 分子量: 196.677
• InChiKey: CIWJDUCJGYWRLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  4-仲-丁基苯甲酰基氯化物 在 sodium peroxide 、 水 、 苯 作用下， 生成 bis-(4-sec-butyl-benzoyl)-peroxide
  参考文献：
  名称：

  Optically Active Acyl Peroxides. Preparation, Decomposition, and Use as Catalysts for Vinyl Polymerization¹

  摘要：

  DOI：

  10.1021/ja01248a056
• 作为产物：
  描述：

  4-(2-丁基)苯甲酸 在 吡啶 、 氯化亚砜 作用下， 生成 4-仲-丁基苯甲酰基氯化物
  参考文献：
  名称：

  Optically Active Acyl Peroxides. Preparation, Decomposition, and Use as Catalysts for Vinyl Polymerization¹

  摘要：

  DOI：

  10.1021/ja01248a056

文献信息

• Vinblastine 20′ Amides: Synthetic Analogues That Maintain or Improve Potency and Simultaneously Overcome Pgp-Derived Efflux and Resistance
  作者：John C. Lukesh、Daniel W. Carney、Huijun Dong、R. Matthew Cross、Vyom Shukla、Katharine K. Duncan、Shouliang Yang、Daniel M. Brody、Manuela M. Brütsch、Aleksandar Radakovic、Dale L. Boger

  DOI：10.1021/acs.jmedchem.7b00958

  日期：2017.9.14

  A series of 180 vinblastine 20' amides were prepared in three steps from commercially available starting materials, systematically exploring a typically inaccessible site in the molecule enlisting a powerful functionalization strategy. Clear structure activity relationships and a structural model were developed in the studies which provided many such 20' amides that exhibit substantial and some even remarkable enhancements in potency, many that exhibit further improvements in activity against a Pgp overexpressing resistant cancer cell line, and an important subset of the vinblastine analogues that display little or no differential in activity against a matched pair of vinblastine sensitive and resistant (Pgp overexpressing) cell lines. The improvements in potency directly correlated with target tubulin binding affinity, and the reduction in differential functional activity against the sensitive and Pgp overexpressing resistant cell lines was found to correlate directly with an impact on Pgp-derived efflux.
• Para Alkylation of Hindered Ketones by the Grignard Reagent
  作者：Reynold C. Fuson、Roger. Tull

  DOI：10.1021/ja01175a086

  日期：1949.7
• Methods and Compositions for Controlled Release of Drugs
  申请人：Corcoran Robert C.

  公开号：US20120148521A1

  公开（公告）日：2012-06-14

  Methods and compositions for controlled release of amine, alcohol and thiol drugs, e.g., narcotic analgesics, and tricyclic amine antidepressants, are provided. The drug is releasably covalently bonded to a polymer or other activity-blocking moiety. Release is by an unmasking reaction resulting in the formation of a chemical group that undergoes a second reaction releasing the drug. For example, the narcotic analgesic fentanyl covalently attached to an inert polymer by way of its nitrogen through formation of a quaternary vinylammonium salt is released by hydrolysis of an acetal exposing an alcohol that undergoes an intramolecular nucleophilic substitution reaction involving displacement of the fentanyl nitrogen. Process rate is controlled by controlling the rate of the intramolecular substitution reaction through varying the number of atoms in the chain connecting the alcohol group and the vinylic carbon and/or by the addition of substituents on that chain, and/or by the acetal hydrolysis rate.
• US8105570B2
  申请人：——

  公开号：US8105570B2

  公开（公告）日：2012-01-31
• Optically Active Acyl Peroxides. Preparation, Decomposition, and Use as Catalysts for Vinyl Polymerization¹
  作者：C. S. Marvel、Robert L. Frank、Erhard Prill

  DOI：10.1021/ja01248a056

  日期：1943.8