1-(4-isopropylphenyl)-1-pentanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-isopropylphenyl)-1-pentanone
• 英文别名: 1-(4-isopropylphenyl)pentan-1-one；1-(4-Propan-2-ylphenyl)pentan-1-one
• 化学式: C₁₄H₂₀O
• 分子量: 204.312
• InChiKey: TXRYRRIGBQLQIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-(4-Isopropyl-phenyl)-pentan-1-ol 在 copper(I) bromide dimethylsulfide complex 、 6,6'-bis(C₈F₁₇(CH₂)4)-2,2'-bipyridine 2,2,6,6-tetramethyl-piperidine-N-oxyl 、 二甲基硫 、 氧气 作用下， 以 氯苯 为溶剂， 以95%的产率得到1-(4-isopropylphenyl)-1-pentanone
  参考文献：
  名称：

  Copper-catalysed aerobic oxidation of alcohols using fluorous biphasic catalysis

  摘要：

  A copper(I) catalysed and TEMPO mediated fluorous biphasic oxidation of primary, secondary, allylic and benzylic alcohols with oxygen in the presence of a bipyridine ligand bearing perfluorinated ponytails is described. High chemoselectivities are observed in the oxidation of substituted cyclohexanols (substituted axial cyclohexanols react 6-8 times faster than the corresponding equatorial cyclohexanols). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00250-8

文献信息

• Suzuki–Miyaura Coupling of Simple Ketones via Activation of Unstrained Carbon–Carbon Bonds
  作者：Ying Xia、Jianchun Wang、Guangbin Dong

  DOI：10.1021/jacs.8b02462

  日期：2018.4.25

  Here, we describe that simple ketones can be efficiently employed as electrophiles in Suzuki-Miyaura coupling reactions via catalytic activation of unstrained C-C bonds. A range of common ketones, such as cyclopentanones, acetophenones, acetone and 1-indanones, could be directly coupled with various arylboronates in high site-selectivity, which offers a distinct entry to more functionalized aromatic

  在这里，我们描述了通过催化激活无张力的 CC 键，简单的酮可以在 Suzuki-Miyaura 偶联反应中有效地用作亲电子试剂。一系列常见的酮，如环戊酮、苯乙酮、丙酮和1-茚满酮，可以直接与各种芳基硼酸酯以高位点选择性偶联，这为获得更多功能化的芳香酮提供了独特的途径。初步机理研究表明酮 α-CC 键通过氧化加成断裂。
• FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION
  申请人：Kusakabe Ken-ichi

  公开号：US20120059162A1

  公开（公告）日：2012-03-08

  Provided are a compound represented by general formula (1) and having a TTK inhibitory action and a medicine containing the compound. In formula (1), (X, Y, V, W) is (—N═, ═CR 1 —, ═N—, —CR 7 ═), (—CR 2 ═, ═N—, ═N—, —CR 7 ═), etc.; A is an (un)substituted aromatic hydrocarbon ring, etc.; L is a single bond, —C(═O)—NR A —, etc.; Z is a group represented by the formula —NR 3 R 4 or a group represented by the formula —OR 5 ; R 1 to R 3 , R 6 , and R 7 each is a hydrogen atom, etc.; R 4 and R 5 each is an (un)substituted alkyl, etc.; and R 8 is an (un)substituted cycloalkyl, etc.

  提供了一个由一般式（1）表示的化合物，具有TTK抑制作用，以及含有该化合物的药物。在式（1）中，（X，Y，V，W）为（—N═，═CR1—，═N—，—CR7═），（—CR2═，═N—，═N—，—CR7═），等等；A为（非）取代芳香烃环等；L为一个单键，—C(═O)—NRA—等；Z为由式—NR3R4或式—OR5表示的基团；R1至R3，R6和R7分别是氢原子等；R4和R5分别是（非）取代烷基等；R8是（非）取代环烷基等。
• PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES
  申请人：D'AMBRA Thomas E.

  公开号：US20100010227A1

  公开（公告）日：2010-01-14

  The present invention discloses a process for preparing the piperidine derivative compound 4-[4-[4-hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetic acid of formula comprising the sequential steps of: (1) reacting 4-bromo-α,α-dimethyl-α-(4,4-dimethylisoxazolin-2-yl)toluene with 4-chlorobutyryl chloride to provide 4-(4-chloro-1-oxobutyl)-α,α-dimethyl-α-(4,4-dimethylisoxazolin-2-yl)toluene; (2) hydrolyzing said 4-(4-chloro-1-oxobutyl)-α,α-dimethyl-α-(4,4-dimethylisoxazolin-2-yl)toluene to provide 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetic acid; (3) reacting said 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetic acid with methanol to provide methyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate; (4) reacting said methyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylphenylacetate with 4-(α,α-diphenyl)piperidinemethanol to provide methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylphenylacetate; (5) reducing said methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylphenylacetate to provide methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetate; and (6) hydrolyzing said methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetate to provide said 4-[4-[4-hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylphenylacetic acid.

  本发明揭示了一种制备式为4-[4-[4-羟基二苯甲基)-1-哌啶基]-1-羟基丁基]-α，α-二甲基苯乙酸的哌啶衍生物化合物的方法，包括以下步骤：(1)将4-溴-α,α-二甲基-α-(4,4-二甲基异恶唑-2-基)甲苯与4-氯丁酰氯反应，得到4-(4-氯-1-氧代丁基)-α,α-二甲基-α-(4,4-二甲基异恶唑-2-基)甲苯；(2)水解所述的4-(4-氯-1-氧代丁基)-α,α-二甲基-α-(4,4-二甲基异恶唑-2-基)甲苯，得到4-(4-氯-1-氧代丁基)-α,α-二甲基苯乙酸；(3)将所述的4-(4-氯-1-氧代丁基)-α,α-二甲基苯乙酸与甲醇反应，得到甲基4-(4-氯-1-氧代丁基)-α,α-二甲基苯乙酸酯；(4)将所述的甲基4-(4-氯-1-氧代丁基)-α,α-二甲基苯乙酸酯与4-(α,α-二苯基)哌啶甲醇反应，得到甲基4-[4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基]-α,α-二甲基苯乙酸酯；(5)将所述的甲基4-[4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基]-α，α-二甲基苯乙酸酯还原，得到甲基4-[4-[4-(羟基二苯甲基)-1-哌啶基]-1-羟基丁基]-α，α-二甲基苯乙酸酯；(6)水解所述的甲基4-[4-[4-(羟基二苯甲基)-1-哌啶基]-1-羟基丁基]-α，α-二甲基苯乙酸酯，得到所述的4-[4-[4-羟基二苯甲基)-1-哌啶基]-1-羟基丁基]-α，α-二甲基苯乙酸。
• ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS
  申请人：Emisphere Technologies, Inc.

  公开号：EP1745004A2

  公开（公告）日：2007-01-24
• EP1745004A4
  申请人：——

  公开号：EP1745004A4

  公开（公告）日：2007-05-09