pivaloyloxybenzoyl chloride | 78589-55-6

• 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: pivaloyloxybenzoyl chloride
• 英文别名: 2-(chlorocarbonyl)phenyl 2,2-dimethylpropanoate；pivaloyloxybenzoylchloride；2-(Chloro-carbonyl)phenyl 2,2-dimethylpropanoate；(2-carbonochloridoylphenyl) 2,2-dimethylpropanoate
• CAS: 78589-55-6
• 化学式: C₁₂H₁₃ClO₃
• 分子量: 240.686
• InChiKey: LAHDJBLJLPEBGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  322.3±25.0 °C(Predicted)
• 密度：
  1.185±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  pivaloyloxybenzoyl chloride 生成 3-[2-(2,2-Dimethyl-propionyloxy)-phenyl]-propynoic acid methyl ester
  参考文献：
  名称：

  十六烷基环化新方法。应用'一种合成的原始酰基-3羟基-4-香豆素等羟基11-苯并（b）12 [h] one吨酮-12

  摘要：

  间苯和对乙酰氧基苯甲酰氯与Ph3P = CH-COOMe的反应导致的酮基的热分解分别在皂化为间苯丙酸和对苯丙酸后导致。酰基的邻位取代通常会改变反应的方向。苯甲酰氧基-或苯乙酰氧基苯甲酰氯分别提供：和令人满意的产率。第一种和第二种的皂化得到：这构成了一条新的，方便的途径，可制得3-酰基4-羟基香豆素和11-羟基12 H-苯并（b）氧杂蒽12-。这些最后产物的形成涉及该酰氧基取代基的羰基，而不是如先前在这些系列中观察到的酰氯的羰基。

  DOI：

  10.1016/s0040-4020(01)92042-3
• 作为产物：
  描述：

  2-pivaloyloxy-benzoic acid 在 吡啶 、 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以100%的产率得到pivaloyloxybenzoyl chloride
  参考文献：
  名称：

  [EN] NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE
  [FR] NOUVEAUX DÉRIVÉS DE PEROXYDE, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION EN MÉDECINE HUMAINE ET DANS DES COSMÉTIQUES POUR LE TRAITEMENT OU LA PRÉVENTION DE L'ACNÉ

  摘要：

  本发明涉及以下一般式（I）化合物的使用。它还涉及它们的制备过程以及它们的治疗应用。

  公开号：

  WO2011070170A1

文献信息

• NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE
  申请人：Bouix-Peter Claire

  公开号：US20120323035A1

  公开（公告）日：2012-12-20

  Compounds of the following general formula (I): are described. Also described, are processes of their preparation and their use in therapeutic applications.

  描述了以下通式（I）的化合物。还描述了它们的制备过程以及它们在治疗应用中的使用。
• Peroxide derivatives, their process of preparation and their use in human medicine and in cosmetics for the treatment or prevention of acne
  申请人：Bouix-Peter Claire

  公开号：US09102607B2

  公开（公告）日：2015-08-11

  Compounds of the following general formula (I): are described. Also described, are processes of their preparation and their use in therapeutic applications.

  本文描述了一般公式（I）的化合物。同时，还描述了它们的制备过程及其在治疗应用方面的使用。
• Piperidine derivatives, processes for their preparation and pharmaceutical preparation containing them
  申请人：Carlsson, Per Arvid Emil

  公开号：EP0097628A2

  公开（公告）日：1984-01-04

  The pure enantiomeric form of a compound of the formula wherein Y is OH, R'COO, R2R3NCOO- or R4O whereby R' is an aliphatic hydrocarbon residue having 1-17 carbon atoms. a phenyl, 2,6-dimethylphenyl or 3- or 4-hydroxyphenyl group or a 3- or 4-alkanoyloxyphenyl group with the formula wherein R5 is an alkyl group having 1-6 cabon atoms, or RI is a group wherein R6 is hydrogen, an alkyl group having 1 to 5 carbon atoms or a phenyl group, R7 is hydrogen, an alkyl group having 1 to 5 carbon atoms or an acyl group and R8 is hydrogen or an alkyl group having 1 to 5 carbon atoms, R2 is hydrogen, an alkyl group having 1-5 carbon atoms, a phenethyl, benzyl or phenyl group which may be mono- or disubstituted in the aromatic part with a methyl, methoxy, hydroxy, nitro or cyano group or a halogen, R3 is H, an alkyl group having 1 to 5 carbon atoms or a phenyl group or R2 and R3 together with the nitrogen atom form a 5, 6 or 7 membered ring that may contain 1 to 3 double bonds andior 1 or 2 further heteroatoms selected from N, 0 and S, and R4 is an allyl or benzyl group, said enantiomer having the same absolute configuration at the asymmetric carbon atom (x) as that of the (-)-enantiomer of the compound of formula wherein Y is OH, as bases and pharmaceutically acceptable acid addition salts thereof, processes for their preparation and pharmaceutical preparations and methods of treatment employing such compounds. The compounds are useful for treatment of disorders in the central nervous system.

  式中化合物的纯对映体形式 式中 Y 为 OH、R'COO、R2R3NCOO- 或 R4O，其中 R'为具有 1-17 个碳原子的脂肪族烃残基。 式中苯基、2,6-二甲基苯基或 3-或 4-羟基苯基或 3-或 4-烷酰氧基苯基。 其中 R5 是具有 1-6 个碳原子的烷基，或 RI 是一个基团 其中 R6 是氢、1-5 个碳原子的烷基或苯基，R7 是氢、1-5 个碳原子的烷基或酰基，R8 是氢或 1-5 个碳原子的烷基，R2 是氢、1-5 个碳原子的烷基、苯乙基、苄基或苯基，其芳香部分可与甲基、甲氧基、羟基、硝基或氰基或卤素单取代或二取代，R3 是 H、1-5 个碳原子的烷基或苯基，或 R2 和 R3 与氮原子一起形成 5、R4是烯丙基或苄基，所述对映体在不对称碳原子（x）上的绝对构型与式化合物的（-）-对映体的绝对构型相同，其中Y是OH，作为其碱和药学上可接受的酸加成盐、其制备工艺和药物制剂以及采用此类化合物的治疗方法。这些化合物可用于治疗中枢神经系统疾病。
• (Acyloxy)benzophenones and (acyloxy)-4-pyrones. A new class of inhibitors of human neutrophil elastase
  作者：Masateru Miyano、James R. Deason、Akira Nakao、Michael A. Stealey、Clara I. Villamil、Daniel D. Sohn、Richard A. Mueller

  DOI：10.1021/jm00400a030

  日期：1988.5

  A series of 4-(acyloxy)- and 4,4'-bis(acyloxy)benzophenones were synthesized. Some of them, pivalates (trimethylacetates) and isobutyrates in particular, were found to be potent and selective inhibitors of human neutrophil (leukocyte) elastase. A series of 2-[(acyloxy)methyl]-5-(acyloxy)-4-pyrones were synthesized regioselectively from kojic acid. The 4-pyrones bearing a long chain acyl group at the 2-position and either pivaloyloxy or isobutyryloxy at the 5-position were potent and selective inhibitors of the human elastase. A number of analogues and derivatives in both series were synthesized in order to study the structure-activity relationship as summarized in Tables I-VI and in Tables IX and X. The inhibition was selective to human neutrophil elastase. No inhibition of porcine pancreatic elastase or bovine pancreatic chymotrypsin (Tables VII and XI) was observed. The most likely mechanism of inhibition is discussed. The implication of these findings for the treatment of rheumatoid arthritis and emphysema is outlined.
• Therapeutically useful 1-alkyl-2-aminotetralin derivatives
  申请人：Astra Läkemedel Aktiebolag

  公开号：EP0064964B1

  公开（公告）日：1984-08-08