4-(4-羟基丁基)苯甲酸叔丁酯 | 129623-80-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(4-羟基丁基)苯甲酸叔丁酯
• 英文名称: tert-butyl 4-(4-hydroxybutyl)benzoate
• 英文别名: 1,1-dimethylethyl 4-(4-hydroxybutyl)benzoate；4-[(4-tert-butoxycarbonyl)phenyl]butyl alcohol；Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl ester
• CAS: 129623-80-9
• 化学式: C₁₅H₂₂O₃
• 分子量: 250.338
• InChiKey: AZGAZHWQNPNDLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-羟基丁基)苯甲酸叔丁酯 在 草酰氯 、 potassium tert-butylate 、 二甲基亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 tert-butyl 4-(5-methoxy-4-pentenyl)benzoate
  参考文献：
  名称：

  A novel synthetic approach to pyrrolo[2,3-d]pyrimidine antifolates

  摘要：

  A novel and efficient synthetic method for the synthesis of pyrrolo[2,3-d]pyrimidine antifolates is described. The key reaction of this method is the photo-initiated free radical addition of bromomalononitrile or ethyl bromocyanoacetate to an enol ether to afford the backbone skeleton of the targeted antifolate molecule. The key intermediates 3 or 4 are smoothly converted to the pyrrolo[2,3-d]pyrimidine antifolates 1 or 2 in three steps and in high overall yield.

  DOI：

  10.1021/jo00059a016
• 作为产物：
  描述：

  4-甲酰基苯甲酸叔丁酯 在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 以 甲醇 为溶剂， 反应 9.5h， 生成 4-(4-羟基丁基)苯甲酸叔丁酯
  参考文献：
  名称：

  A novel synthetic approach to pyrrolo[2,3-d]pyrimidine antifolates

  摘要：

  A novel and efficient synthetic method for the synthesis of pyrrolo[2,3-d]pyrimidine antifolates is described. The key reaction of this method is the photo-initiated free radical addition of bromomalononitrile or ethyl bromocyanoacetate to an enol ether to afford the backbone skeleton of the targeted antifolate molecule. The key intermediates 3 or 4 are smoothly converted to the pyrrolo[2,3-d]pyrimidine antifolates 1 or 2 in three steps and in high overall yield.

  DOI：

  10.1021/jo00059a016

文献信息

• Carboxylic acid derivatives
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05081245A1

  公开（公告）日：1992-01-14

  A compound represented by the formula: ##STR1## wherein R represents a hydrogen atom or a lower alkyl group; R.sup.1 represents a higher alkyl group which may be substituted; R.sup.2 represents a hydrogen atom or a lower alkyl group, a lower alkanoyl group or a nitrogen-containing 5- to 7-membered heterocyclic group each of which may be substituted; X represents a divalent group represented by the formula: --(OCH.sub.2 CH.sub.2).sub.p -- wherein p represents an integer of 1 to 5, a divalent group represented by the formula: --O(CH.sub.2).sub.q -- wherein q represents an integer of 3 to 8, or a divalent group represented by the formula: --(OCH.sub.2 CH.sub.2).sub.p --J--(CH.sub.2).sub.q -- wherein J represents an oxygen atom or a group represented by the formula: --S(O).sub.r -- (wherein r represents 0, 1 or 2), and p and q are the same as defined above; Y represents a divalent group containing tertiary or quaternary nitrogen atom(s); and Z represents an alkylene group which may be substituted and/or interrupted, or a group represented by the formula: --Q--T-- or --T--W-- wherein Q and W represent an alkylene group which may be substituted, and T represents a phenhylene group, a naphthylene group, a cycloalkylene group; and a salt thereof exhibit excellent antitumor action including differentiation inducing action and are useful as pharmaceuticals.

  一种化合物，其化学式表示为：##STR1## 其中R代表氢原子或较低的烷基基团；R.sup.1代表可能被取代的较高烷基基团；R.sup.2代表氢原子或较低的烷基基团、较低的烷酰基团或含氮的5-至7-成员杂环基团，每个基团均可被取代；X代表由式表示的双价基团：--(OCH.sub.2 CH.sub.2).sub.p --其中p代表1至5的整数，由式表示的双价基团：--O(CH.sub.2).sub.q --其中q代表3至8的整数，或由式表示的双价基团：--(OCH.sub.2 CH.sub.2).sub.p --J--(CH.sub.2).sub.q --其中J代表氧原子或由式表示的基团：--S(O).sub.r --（其中r代表0、1或2），且p和q的定义与上述相同；Y代表含有三级或季铵氮原子的双价基团；Z代表可能被取代和/或中断的烷基基团，或由式表示的基团：--Q--T--或--T--W--其中Q和W代表可能被取代的烷基基团，T代表苯基团、萘基团、环烷基团；及其盐具有出色的抗肿瘤作用，包括诱导分化作用，并且可用作药物。
• Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors
  申请人：Allen George David

  公开号：US20080058369A1

  公开（公告）日：2008-03-06

  The invention provides N-[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-4-(8-[(2-hydroxyethyl)(methyl)amino]octanoyl}amino)benzamide, whose formula is , or a salt thereof, such as the monohydrochloride salt thereof. The invention also provides the use of the compound or salt as inhibitors of phosphodiesterase type IV (PDE4) and/or for the treatment and/or prophylaxis of inflammatory and/or allergic diseases such as chronic obstructive pulmonary disease (COPD), asthma, or rhinitis (e.g. allergic and/or non-allergic rhinitis).

  本发明提供一种N-[1,6-二乙基-4-(四氢-2H-吡喃-4-基氨基)-1H-吡唑并[3,4-b]吡啶-5-基]甲基}-4-(8-[(2-羟乙基)(甲基)氨基]辛酰}氨基)苯甲酰胺，其化学式为，或其盐，例如单盐酸盐。本发明还提供该化合物或盐作为磷酸二酯酶IV (PDE4) 的抑制剂以及/或用于治疗和/或预防炎症和/或过敏性疾病，如慢性阻塞性肺疾病 (COPD)，哮喘或鼻炎 (如过敏性和/或非过敏性鼻炎)。
• PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS
  申请人：Allen David George

  公开号：US20090325952A1

  公开（公告）日：2009-12-31

  The invention provides a compound of formula (I) or a salt thereof: wherein Ar has the sub-formula (x): as defined herein, and the use of the compounds as inhibitors of PDE4.

  本发明提供了一个公式(I)化合物或其盐: 其中，Ar具有亚公式(x): 如本文所定义，并将该化合物用作PDE4抑制剂。
• Carboxylic acid derivatives, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0356765A2

  公开（公告）日：1990-03-07

  A compound represented by the formula: wherein R represents a hydrogen atom or a lower alkyl group; R¹ represents a higher alkyl group which may be substituted; R² represents a hydrogen atom or a lower alkyl group, a lower alkanoyl group or a nitrogen-containing 5- to 7-membered heterocyclic group each of which may be substituted; X represents a divalent group represented by the formula: -(OCH₂CH₂)p- wherein p represents an integer of 1 to 5, a divalent group represented by the formula: -O(CH₂)q- wherein q represents an integer of 3 to 8, or a divalent group represented by the formula: -(OCH₂CH₂)p-J-(CH₂)q- wherein J represents an oxygen atom or a group represented by the formula: -S(O)r- (wherein r represents 0, 1 or 2), and p and q are the same as defined above; Y represents a divalent group containing tertiary or quaternary nitrogen atom(s); and Z represents an alkylene group which may be substituted and/or interrupted, or a group represented by the formula: -Q-T- or -T-W- wherein Q and W represent an alkylene group which may be substituted, and T represents a phenylene group, a naphthylene group, a cycloalkylene group; and a salt thereof exhibit excellent antitumor action including differentiation inducing action and are useful as pharmaceuticals.

  一种由式表示的化合物： 其中 R 代表氢原子或低级烷基； R¹代表可被取代的高烷基； R² 代表氢原子或低级烷基、低级烷酰基或含氮的 5 至 7 元杂环基团，每个基团均可被取代； X 代表由式表示的二价基团： -(OCH₂CH₂)p- 其中 p 代表 1 至 5 的整数，二价基团由式表示： -O(CH₂)q-，其中 q 代表整数。 其中 q 代表 3 至 8 的整数，或由式表示的二价基团： -(OCH₂CH₂)p-J-(CH₂)q-，其中 J 代表氧原子或二价基团。 其中 J 代表氧原子或由式表示的基团：-S(O)r-(其中 r 代表 0、1 或 2)，p 和 q 与上文所定义的相同；Y 代表含有叔氮原子或季氮原子的二价基团；Z 代表可被取代和/或间断的亚烷基，或式中所代表的基团： -Q-T- 或 -T-W- 其中 Q 和 W 代表可被取代的亚烷基，T 代表亚苯基、萘基、环烷基； 及其盐类具有优异的抗肿瘤作用，包括诱导分化作用，可用作药物。
• WO2008/15416
  申请人：——

  公开号：——

  公开（公告）日：——