3,5-di-tert-butyl-4-hydroxyphenylacetyl chloride | 40056-42-6

• 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: 3,5-di-tert-butyl-4-hydroxyphenylacetyl chloride
• 英文别名: 4-hydroxy-3,5-di-t-butylphenyl-acetyl chloride；3,5-di-t-butyl-4-hydroxy-phenyl acetyl chloride；3,5-Di-t-butyl-4-hydroxy-phenylacetyl chloride；2-(3,5-ditert-butyl-4-hydroxyphenyl)acetyl chloride
• CAS: 40056-42-6
• 化学式: C₁₆H₂₃ClO₂
• 分子量: 282.81
• InChiKey: LWOCKQNLSINVSI-UHFFFAOYSA-N

物化性质

• 沸点：
  329.8±30.0 °C(Predicted)
• 密度：
  1.077±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 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：

  3,5-di-tert-butyl-4-hydroxyphenylacetyl chloride 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 2.0h， 以70%的产率得到2-(3,5-di-t-butyl-4-hydroxyphenyl)ethanol
  参考文献：
  名称：

  Inhibitors of lipoprotein(a) assembly

  摘要：

  Compounds of the general structure A and B were investigated for their activity as lipoprotein(a), [Lp(a)], assembly (coupling) inhibitors. SAR around the amino acid derivatives (structure A) gave compound 14-6 as a potent coupling inhibitor. Oral closing of compound 14-6 to Lp(a) transgenic mice and cymologous monkeys resulted in a > 30% decrease in plasma Lp(a) levels after 1-2 weeks of treatment at 100 mg/kg/day.) (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2002.04.001
• 作为产物：
  描述：

  3,5-二叔丁基-4-羟基苯乙酸 在 氯化亚砜 作用下， 以 苯 为溶剂， 生成 3,5-di-tert-butyl-4-hydroxyphenylacetyl chloride
  参考文献：
  名称：

  具有抗氧化功能的4-氨基-2,3-聚亚甲基喹啉新衍生物的合成与性能

  摘要：

  合成了基于 4-amino-2,3-polymethylenequinolines（他克林的类似物）的新的潜在多靶点化合物，具有不同大小的脂肪环与作为抗氧化剂部分的 ionol 分子缀合。添加是通过使用酰胺键的亚乙基胺接头完成的。对合成化合物的酯酶谱的研究表明，它们是乙酰胆碱酯酶和丁酰胆碱酯酶的高效抑制剂，对后者具有高选择性，并在 ABTS 测试中表现出高抗氧化活性（ABTS 是 2,2–-azinobis(3-乙基苯并噻唑啉-6-磺酸））。

  DOI：

  10.1007/s11172-023-3844-8

文献信息

• 6,5-Fused aromatic ring systems having enhanced phosphodiesterae IV inhibitory activity
  申请人：Euro-Celtique S.A.

  公开号：EP1160247A1

  公开（公告）日：2001-12-05

  Novel compounds which are effective PDE IV inhibitors are disclosed. The compounds possess improved PDE IV inhibition as compared to theophylline or rolipram, with improved selectivity with regard to, e.g., PDE V inhibition. The present invention includes compounds of Formula I: wherein: rings "A" and "B" can be saturated, unsaturated or partially unsaturated; X1 is selected from CH, C-Cl, or N; X2 is selected from CR12 or N; X3 is selected from CH or N; X4 is selected from CH or N; P1, P2 are independently selected from CH,O or N or NH; M is selected from CH, C, or N; Q is C1-C3 alkyl or -CH=CH-; R6 is selected from -C(R9)3, CH(R9)2, or C3-C8 cycloalkyl; R7 is selected from -OH, -O-CO-CH3, -SH, or -CHO; R8 is selected from -C(R9)3, -CH(R9)2, -C3-C8-cycloalkyl, or -CH2-C4-C6-cycloalkyl; R10 is selected from C1-C3-pyridyl, C3H6OH,-C= C-, Br, -C=C-CH2OH, isopropyl, hydrogen, and R11 is selected from H, -OH, -O-C3-C8-cycloalkyl, -NH2, -NH-C1-C3-alkyl, -SH, -NH-C3-C8-cycloalkyl, -Z-pyridyl, -Z-trienyl, and -Z-CH2OH; R12 is selected from -SH, H, halogen or lower alkyl; R9 is lower alkyl; and Z is selected from ethyl, and -C=C-.

  揭示了有效的PDE IV抑制剂新化合物。这些化合物与茶碱或洛利普兰相比具有改善的PDE IV抑制作用，并具有改善的选择性，例如对于PDE V的抑制。本发明包括以下式I的化合物：其中：环"A"和"B"可以是饱和的、不饱和的或部分不饱和的；X1选自CH、C-Cl或N；X2选自CR12或N；X3选自CH或N；X4选自CH或N；P1、P2独立选自CH、O或N或NH；M选自CH、C或N；Q为C1-C3烷基或-CH=CH-；R6选自-C(R9)3、CH(R9)2或C3-C8环烷基；R7选自-OH、-O-CO-CH3、-SH或-CHO；R8选自-C(R9)3、-CH(R9)2、-C3-C8-环烷基或-CH2-C4-C6-环烷基；R10选自C1-C3-吡啶基、C3H6OH、-C=C-、Br、-C=C-CH2OH、异丙基、氢和R11选自H、-OH、-O-C3-C8-环烷基、-NH2、-NH-C1-C3-烷基、-SH、-NH-C3-C8-环烷基、-Z-吡啶基、-Z-三烯基和-Z-CH2OH；R12选自-SH、H、卤素或较低的烷基；R9为较低的烷基；Z选自乙基和-C=C-。
• Hindered phenolic amides
  申请人：Ciba-Geigy Corporation

  公开号：US04246198A1

  公开（公告）日：1981-01-20

  A phenol of the formulae I, II or III ##STR1## in which R.sub.1, R.sub.2 and R.sub.3 are independent of one another and one of these is C.sub.1 -C.sub.12 -alkyl, C.sub.5 -C.sub.6 -cycloalkyl or C.sub.7 -C.sub.9 -aralkyl and the others are hydrogen, C.sub.1 -C.sub.12 -alkyl or C.sub.5 -C.sub.6 -cycloalkyl, R.sub.4, R.sub.5, R.sub.6 and R.sub.7 are independent of one another and one of these is C.sub.1 -C.sub.12 -alkyl or C.sub.5 -C.sub.6 -cycloalkyl and the others are hydrogen, C.sub.1 -C.sub.12 -alkyl or C.sub.5 -C.sub.6 cycloalkyl, or R.sub.4 and R.sub.5, or R.sub.6 and R.sub.7, together with the C atom which links them, form a 5-12-membered ring, R.sub.8, R.sub.9 and R.sub.10 are independent of one another and one of these is C.sub.1 -C.sub.12 -alkyl, C.sub.5 -C.sub.6 -cycloalkyl or C.sub.7 -C.sub.9 -aralkyl and the others are hydrogen, C.sub.1 -C.sub.12 -alkyl or C.sub.5 -C.sub.6 -cycloalkyl, x and y independently of one another are 0, 1, 2 or 3, one of m and n is 1 and the other is 0 or 1, A is a monovalent, divalent or trivalent hydrocarbon radical which, in formula II, can also be interrupted by S, and Z is 1, 2 or 3, corresponding to the valency of A, and, in compounds of the formula II and III, m is 1 and R.sub.4 and R.sub.5 independently of one another are C.sub.1 -C.sub.12 -alkyl or C.sub.5 -C.sub.6 -cycloalkyl and, in compounds of the formula I, R.sub.6 can be bridged with A to form a carbocyclic structure as stabilizers for organic material.

  公式I、II或III的酚##STR1##中，R.sub.1、R.sub.2和R.sub.3彼此独立，其中之一是C.sub.1-C.sub.12-烷基、C.sub.5-C.sub.6-环烷基或C.sub.7-C.sub.9-芳基烷基，其他是氢、C.sub.1-C.sub.12-烷基或C.sub.5-C.sub.6-环烷基，R.sub.4、R.sub.5、R.sub.6和R.sub.7彼此独立，其中之一是C.sub.1-C.sub.12-烷基或C.sub.5-C.sub.6-环烷基，其他是氢、C.sub.1-C.sub.12-烷基或C.sub.5-C.sub.6-环烷基，或者R.sub.4和R.sub.5，或者R.sub.6和R.sub.7，与连接它们的C原子一起形成5-12个成员环，R.sub.8、R.sub.9和R.sub.10彼此独立，其中之一是C.sub.1-C.sub.12-烷基、C.sub.5-C.sub.6-环烷基或C.sub.7-C.sub.9-芳基烷基，其他是氢、C.sub.1-C.sub.12-烷基或C.sub.5-C.sub.6-环烷基，x和y彼此独立为0、1、2或3，m和n中之一为1，另一个为0或1，A是一价、二价或三价的碳氢基团，在公式II中，还可以被S中断，Z为1、2或3，对应于A的化合价，在公式II和III的化合物中，m为1，R.sub.4和R.sub.5彼此独立为C.sub.1-C.sub.12-烷基或C.sub.5-C.sub.6-环烷基，而在公式I的化合物中，R.sub.6可以与A桥接形成碳环结构作为有机材料的稳定剂。
• Quinoline derivatives, their production and use as ACAT inhibitors
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05362742A1

  公开（公告）日：1994-11-08

  A quinoline derivative of the formula (I): ##STR1## wherein each phenyl ring of A and B can have one or more substituents; X is ##STR2## (R.sup.1 is a hydrogen atom, a lower alkyl group or a lower alkoxy group) or ##STR3## (R.sup.2 is a hydrogen atom or a lower alkyl group); Y is --(CH.sub.2).sub.m --(m is 0, 1 or 2) or --CH.dbd.CH--, Z is a group of the formula: ##STR4## wherein each phenyl ring of C and D can have one or more substituents, R.sup.3 and R.sup.4 are each a hydrogen or halogen atom, or a lower alkyl, lower alkoxy, lower acyloxy, lower alkoxycarbonyloxy, N,N-di-lower alkylcarbamoyloxy, optionally esterified carboxy or hydroxyl group, R.sup.5 is a halogen atom, or a lower alkyl, lower alkoxy, lower acyloxy, lower alkoxycarbonyloxy, N,N-di-lower alkylcarbamoyloxy, optionally esterified carboxy or hydroxyl group, R.sup.6 and R.sup.7 are each a hydrogen atom or a lower alkyl group, and n, o and p are each 1 or 2; l is 0 or 1; or its salt, which is useful as a drug for atherosclerosis.

  化合物I的喹啉衍生物：##STR1## 其中A和B的每个苯环可以有一个或多个取代基；X为##STR2##（R.sup.1是氢原子，较低的烷基或较低的烷氧基）或##STR3##（R.sup.2是氢原子或较低的烷基）；Y为--（CH.sub.2）.sub.m --（m为0，1或2）或--CH.dbd.CH--，Z为以下式的基团：##STR4## 其中C和D的每个苯环可以有一个或多个取代基，R.sup.3和R.sup.4分别是氢或卤素原子，或较低的烷基，较低的烷氧基，较低的乙酰氧基，较低的烷氧羰基氧基，N，N-二-较低的烷基氨基羰氧基氧基，可选酯化的羧基或羟基，R.sup.5是卤素原子，或较低的烷基，较低的烷氧基，较低的乙酰氧基，较低的烷氧羰基氧基，N，N-二-较低的烷基氨基羰氧基氧基，可选酯化的羧基或羟基，R.sup.6和R.sup.7分别是氢原子或较低的烷基，n，o和p分别为1或2；l为0或1；或其盐，可用作动脉粥样硬化药物。
• Substituted benzoxazoles
  申请人：Euro-Celtique, S.A.

  公开号：US05665737A1

  公开（公告）日：1997-09-09

  Novel compounds which are effective PDE IV inhibitors are disclosed. The compounds possess improved PDE IV inhibition as compared to theophylline or rolipram, with improved selectivity with regard to, e.g., PDE III inhibition.

  本发明揭示了一种有效的PDE IV抑制剂新化合物。与茶碱或罗利帕姆相比，这些化合物具有更好的PDE IV抑制效果，并且在与PDE III抑制方面具有更好的选择性。
• 6,5-fused aromatic ring systems having enhanced phosphodiesterase IV
  申请人：Euro-Celtique S.A.

  公开号：US06075016A1

  公开（公告）日：2000-06-13

  Novel compounds which are effective PDE IV inhibitors are disclosed. The compounds possess improved PDE IV inhibition as compared to theophylline or rolipram, with improved selectivity with regard to, e.g., PDE V inhibition. The present invention includes compounds of Formula I: ##STR1##

  本发明揭示了一种有效的PDE IV抑制剂新化合物。与茶碱或罗利帕姆相比，这些化合物具有改进的PDE IV抑制作用，并具有改进的选择性，例如对于PDE V抑制作用。本发明包括式I的化合物：##STR1##