3-异丙基-2,4,6-三甲基吡啶 | 89406-85-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-异丙基-2,4,6-三甲基吡啶
• 中文别名: 2,10-二乙基-2,10-二甲基十一烷-1,11-二醇
• 英文名称: 3-isopropyl-2,4,6-trimethylpyridine
• 英文别名: 3-isopropyl-2,4,6-trimethyl-pyridine；3-Isopropyl-2,4,6-trimethyl-pyridin；2,4,6-Trimethyl-3-propan-2-ylpyridine
• CAS: 89406-85-9
• 化学式: C₁₁H₁₇N
• 分子量: 163.263
• InChiKey: UCDWSQMCKGTORZ-UHFFFAOYSA-N

物化性质

• 沸点：
  234.8±9.0 °C(Predicted)
• 密度：
  0.899±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-异丙基-2,4,6-三甲基吡啶 在 高氯酸 、 硫酸 、 potassium nitrate 作用下， 反应 71.0h， 生成 1,2,4,6-Tetramethyl-5-isopropyl-3-nitropyridinium perchlorate
  参考文献：
  名称：

  由吡啶鎓盐合成吲哚。7.吲哚合成中的受阻位烷基-3-硝基吡啶鎓盐

  摘要：

  DOI：

  10.1007/bf00470027
• 作为产物：
  描述：

  二丙酮醇 在 palladium on activated charcoal 、 氨 作用下， 生成 2,4,6-三甲基吡啶 、 3-异丙基-2,4,6-三甲基吡啶
  参考文献：
  名称：

  Jezo; Tihlarik, Chemicke Zvesti, 1959, vol. 13, p. 98

  摘要：

  DOI：

文献信息

• Gear effect—10
  作者：Christian Roussel、Alexandru T. Balaban、Ulf Berg、Michel Chanon、Roger Gallo、Gerd Klatte、Joseph A. Memiaghe、Jacques Metzger、Daniela Oniciu、Johanna Pierrot-Sanders

  DOI：10.1016/s0040-4020(01)88642-7

  日期：1983.1

  The effect of the shape of a methyl group on reactivity, which cannot be accounted for by considering a methyl group as a spherical substituent with the appropriate van der Waals radius, was considered in kinetics of alkylalion of substituted pyridines and barriers to rotation and ground state conformations of an isopropyl group attached to a planar framework. The perturbation of a methyl group by an

  在取代吡啶的烷基化动力学以及旋转和基态壁垒中考虑了甲基形状对反应性的影响，这不能通过考虑将甲基作为具有适当范德华半径的球形取代基来解决。附着在平面骨架上的异丙基构象。甲基被邻甲基干扰是由独特的构象解释引起的，该构象解释涉及甲基的多面体形状。
• AMINO ACID COMPOUNDS AND METHODS OF USE
  申请人：Pliant Therapeutics, Inc.

  公开号：US20200109141A1

  公开（公告）日：2020-04-09

  The invention relates to compounds of formula (I): or a salt thereof, wherein R 1 , G, L 1 , L 2 , L 3 , and Y are as described herein. Compounds of formula (I) and pharmaceutical compositions thereof are inhibitors of one, or both of, αvβ 1 integrin and αvβ 6 integrin that are useful for treating fibrosis such as in nonalcoholic steatohepatitis (NASH), idiopathic pulmonary fibrosis (IPF) and nonspecific interstitial pneumonia (NSIP).

  本发明涉及如下公式(I)的化合物： 或其盐，其中R1、G、L1、L2、L3和Y如本文所述。公式(I)的化合物及其药物组合物是αvβ1整合素和/或αvβ6整合素的一种或两种的抑制剂，用于治疗纤维化，如非酒精性脂肪肝炎（NASH）、特发性肺纤维化（IPF）和非特异性间质性肺炎（NSIP）。
• Tricyclic benzopyrane compound
  申请人：Ohrai Kazuhiko

  公开号：US20100069374A1

  公开（公告）日：2010-03-18

  This invention relates to benzopyran derivatives of formula (I) or (II), or pharmaceutically acceptable salts thereof wherein R 1 and R 2 are independently of each other hydrogen atom, C 1-6 alkyl group or C 6-14 aryl group, R 3 is hydrogen atom or C 1-6 alkylcarbonyloxy group, or together with R 4 forms a bond, R 4 is hydrogen atom, or together with R 3 forms a bond, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR 7 R 8 , NR 9 , O, S, SO or SO 2 , R 5 is hydrogen atom or C 1-6 alkyl group, R 6 is hydrogen atom, C 1-6 alkyl group, C 3-8 cycloalkyl group, C 3-8 cycloalkenyl group, amino group, C 1-6 alkylamino group, di-C 1-6 alkylamino group, C 6-14 arylamino group, C 2-9 heteroarylamino group, C 6-14 aryl group, C 2-9 heteroaryl group or C 2-9 heterocyclyl group, A is 5-, 6- or 7-member ring fused with benzene ring, as constituent atom of the ring, oxygen atom, nitrogen atom or sulfur atom may be contained in the number of 1 to 3 alone or in a combination thereof, the number of unsaturated bond in the ring is 1, 2 or 3 including an unsaturated bond of the benzene ring to be fused, carbon atoms constituting the ring may be carbonyl or thiocarbonyl. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及公式（I）或（II）的苯并吡喃衍生物或其药学上可接受的盐， 其中R1和R2独立地是氢原子，C1-6烷基或C6-14芳基，R3是氢原子或C1-6烷基羰氧基，或与R4一起形成键，R4是氢原子，或与R3一起形成键，m是0到4的整数，n是0到4的整数，V是单键，CR7R8，NR9，O，S，SO或SO2，R5是氢原子或C1-6烷基，R6是氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，氨基，C1-6烷基氨基，双C1-6烷基氨基，C6-14芳基氨基，C2-9杂芳基氨基，C6-14芳基，C2-9杂芳基或C2-9杂环烷基，A是与苯环融合的5、6或7成员环，作为环的组成原子，其中含有1到3个氧原子，氮原子或硫原子，或其组合，环中不饱和键的数量为1、2或3，包括与苯环融合的不饱和键，构成环的碳原子可以是羰基或硫代羰基。这些化合物可用作抗心律失常剂。
• Process for preparing pyrylium salts
  申请人：EASTMAN KODAK COMPANY (a New Jersey corporation)

  公开号：EP0096641A2

  公开（公告）日：1983-12-21

  A process for selectively preparing isomers of polysubstituted pyrylium salts from isoolefins or isoolefin precursors comprises diacylating the isoolefin or isoolefin precursor with a carboxylic acid anhydride in the presence of an acid having a Hammett acidity function, when pure, between -10 and -5. This method is selective to obtain the most substituted isomer of pyrylium salt that can be obtained from the isoolefin or isoolefin precursor.

  一种从异烯烃或异烯烃前体中选择性制备多取代芘盐异构体的工艺，包括在纯度为-10 和-5 之间的哈密特酸度函数的酸存在下，用羧酸酐对异烯烃或异烯烃前体进行二酰化。
• Substituted amino acids as integrin inhibitors
  申请人：Pliant Therapeutics, Inc.

  公开号：US11180494B2

  公开（公告）日：2021-11-23

  The invention relates to compounds of formula (I): or a salt thereof, wherein R1, G, L1, L2, L3, and Y are as described herein. Compounds of formula (I) and pharmaceutical compositions thereof are inhibitors of one, or both of, αvβ1 integrin and αvβ6 integrin that are useful for treating fibrosis such as in nonalcoholic steatohepatitis (NASH), idiopathic pulmonary fibrosis (IPF) and nonspecific interstitial pneumonia (NSIP).

  本发明涉及式 (I) 化合物： 或其盐，其中 R1、G、L1、L2、L3 和 Y 如本文所述。式（I）化合物及其药物组合物是αvβ1整合素和αvβ6整合素中一种或两种的抑制剂，可用于治疗纤维化，如非酒精性脂肪性肝炎（NASH）、特发性肺纤维化（IPF）和非特异性间质性肺炎（NSIP）。