1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-propan-1-one | 14035-34-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-propan-1-one
• 英文别名: 2,6‐bis(1,1‐dimethylethyl)‐4‐(1‐oxopropyl)phenol；1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-propan-1-on；1-(3,5-di-tert.butyl-4-hydroxyphenyl)-propanone；3,5-di(t-butyl)-4-hydroxypropiophenone；2,6-Bis(1,1-dimethylethyl)-4-(1-oxopropyl)phenol；1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one
• CAS: 14035-34-8
• 化学式: C₁₇H₂₆O₂
• mdl: MFCD00432959
• 分子量: 262.392
• InChiKey: JGJQYHBWTHQSPR-UHFFFAOYSA-N

物化性质

• 熔点：
  136 °C(Solv: ligroine (8032-32-4))
• 沸点：
  325.0±37.0 °C(Predicted)
• 密度：
  0.974±0.06 g/cm3(Predicted)
• 保留指数：
  1635;1644

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-propan-1-one 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 1-(3,5-二叔丁基-4-羟基苯基)-1-丙醇
  参考文献：
  名称：

  Effect of some sterically hindered bisphenols on the reproduction function in animals

  摘要：

  DOI：

  10.1007/bf00777139
• 作为产物：
  描述：

  4-丙基苯酚 在 异丙苯 、 过氧化氢异丙苯 、 硫酸 、 Co-phthalate 作用下， 生成 1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-propan-1-one
  参考文献：
  名称：

  在异丙苯的自氧化过程中，某些产物是由酚类抑制剂形成的。第二部分

  摘要：

  DOI：

  10.1039/jr9550002753

文献信息

• Derivatives of heterocycles with 5 members, their preparation and their use as medicaments
  申请人：——

  公开号：US20040132788A1

  公开（公告）日：2004-07-08

  The invention relates to thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives of general formula (I) 1 wherein Het is thiazole, oxazole, imidazole, isoxazole or isoxazoline, n is an integer from 0 to 6, A is notably selected from various optionally substituted aromatic radicals, B is notably hydrogen, alkyl or phenyl, R 1 and R 2 are notably independently hydrogen, alkyl or cycloalkyl and &OHgr; is —NR 46 R 47 or —OR 48 R 46 and R 47 are notably independently hydrogen, alkyl, cycloalkyl or —(CH 2 ) k —COOR 51 , R 51 is notably alkyl or haloalkyl and R 48 is notably hydrogen or alkyl. These compounds have advantageous pharmacological properties which allow their use in therapeutics, notably for treating neurodegenerative disorders or pain.

  本发明涉及噻唑、噁唑、咪唑、异噁唑和异噁唑啉的一般式(I)衍生物，其中Het为噻唑、噁唑、咪唑、异噁唑或异噁唑啉，n为0至6的整数，A特别选自各种可任选取代的芳香族基团，B特别为氢、烷基或苯基，R1和R2特别独立地为氢、烷基或环烷基，Ω为—NR46R47或—OR48，R46和R47特别独立地为氢、烷基、环烷基或—(CH2)k—COOR51，R51特别为烷基或卤代烷基，R48特别为氢或烷基。这些化合物具有有利的药理学特性，使其可用于治疗学，特别是用于治疗神经退行性疾病或疼痛。
• Reactions of 4-bromo-4-(1-hydroxypropyl)-2,6-di-t-butylcyclohexa-2,5-dienone in methanolic sulphuric acid
  作者：Matti Karhu

  DOI：10.1039/p19800001595

  日期：——

  Reactions of the title compound (1) in methanolic sulphuric acid are described. At high acid concentrations the main reaction is the cleavage of the side chain as propionic aldehyde. At low acid concentrations the products are mainly formed by hydrolysis of (1) and subsequent reduction and oxidation reactions involving the bromide ion and bromine.

  描述了标题化合物（1）在甲醇硫酸中的反应。在高酸浓度下，主要反应是作为丙醛的侧链裂解。在低酸浓度下，产物主要由（1）的水解以及随后的涉及溴离子和溴的还原和氧化反应形成。
• Formation of diphenyl ethers from cyclohexa-2,5-dienones via 4-phenoxy-4-(1-alkoxy)cyclohexa-2,5-dienones as probable intermediates
  作者：Matti Karhu

  DOI：10.1039/p19810000303

  日期：——

  Acid-catalysed reactions of the cyclohexa-2,5-dienones (3) and (14) with phenol afford diphenyl ethers. Quinol ethers are considered to be intermediates in these reactions, with aromatisation of the cyclohexa-2,5-dienone ring by loss of the 4-(1-alkoxy) side-chain as an aldehyde constituting the driving force.

  环己-2,5-二烯酮（3）和（14）与苯酚的酸催化反应得到二苯醚。喹诺醚被认为是这些反应的中间体，通过失去作为驱动力的醛的4-（1-烷氧基）侧链，使环己-2,5-二烯酮环芳构化。
• Influence of the redox state of the ligand on the dealkylation of substituted methylcobaloximes in the presence of heavy metal ions
  作者：E. R. Milaeva、A. V. Androsova、O. V. Polyakova、A. I. Prokof'ev、V. S. Petrosyan

  DOI：10.1007/bf01431816

  日期：1996.7

  Pb4+ ions, The free radical forms of the complexes containing a phenoxy radical W the ligand are formed during oxidation. The ESR spectra are given. The unpaired electron in the periphery of the methylcobaloxime ligand1c interacts with the Co-CH3 fragment through the conjugated systems, enhancing the donating properties of the equatorial ligand of the complex, which leads to the rapid cleavage of the

  描述了在配体中含有位阻 2,6-二叔丁基苯酚片段的钴肟和甲基钴肟的合成。甲基双（二甲基乙醛肟）钴（1a）、甲基双（二苯基乙醛肟）钴（1b）、甲基双[甲基-（3,5-二-叔丁基-4-羟基苯基）乙醛肟]钴（1c）吡啶盐的去甲基化的光谱研究在 Cd2+、Hg2+、Sn4+、Pb2+ 和 Pb4+ 离子的存在下进行。氧化过程中形成含有苯氧基自由基 W 的配合物的自由基形式。给出了 ESR 谱。甲基钴肟配体 1c 外围的未配对电子通过共轭系统与 Co-CH3 片段相互作用，增强了配合物赤道配体的捐赠特性，从而导致 Co-C 键的快速断裂。
• 4-PHENYL-1,3-THIAZOLES AND 4-PHENYL-1,3-OXAZOLES DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS
  申请人：Harnett Jeremiah

  公开号：US20110059970A1

  公开（公告）日：2011-03-10

  The present invention relates to new 4-phenyl-1,3-azole derivatives having the general formula (I) wherein R1, R2, R3, R4, X, A, B, and n are variable, in a racemic form, an enantiomeric form or any combinations thereof. These compounds exhibit affinity for cannabinoid receptors and may therefore be used as drugs to treat or prevent pathological states and diseases in which one or more of these receptors are involved. The invention also relates to pharmaceutical compositions containing said products and to the use thereof to prepare a drug.

  本发明涉及具有一般式(I)的新4-苯基-1,3-唑衍生物，其中R1、R2、R3、R4、X、A、B和n是可变的，在消旋形式、对映异构体形式或任何组合中。这些化合物对大麻素受体具有亲和力，因此可用作药物治疗或预防涉及其中一个或多个这些受体的病理状态和疾病。本发明还涉及含有所述产品的药物组合物以及利用它们制备药物的用途。