2-methyl-3-(p-tolyl)propanoic acid | 1012-15-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-methyl-3-(p-tolyl)propanoic acid
• 英文别名: 2-methyl-3-(4-methylphenyl)propanoic Acid
• CAS: 1012-15-3
• 化学式: C₁₁H₁₄O₂
• mdl: MFCD00796497
• 分子量: 178.231
• InChiKey: ZJBQYRLHEYPLEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 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：

  2-methyl-3-(p-tolyl)propanoic acid 在 硫酸 、 溶剂黄146 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 20.5h， 生成 ethyl 2-(2,5-dimethyl-1H-inden-3-yl)acetate
  参考文献：
  名称：

  Synthesis and SAR study of modulators inhibiting tRXRα-dependent AKT activation

  摘要：

  RXR alpha represents an intriguing and unique target for pharmacologic interventions. We recently showed that Sulindac and a designed analog could bind to RXR alpha and modulate its biological activity, including inhibition of the interaction of an N-terminally truncated RXR alpha (tRXR alpha) with the p85 alpha regulatory subunit of phosphatidylinositol-3-OH kinase (PI3K). Here we report the synthesis, testing and SAR of a series of novel analogs of Sulindac as potential modulators for inhibiting tRXR alpha-dependent AKT activation. A new compound 30 was identified to have improved biological activity. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.01.012
• 作为产物：
  描述：

  methyl 2-methyl-3-(4-methylphenyl)propanoate 在 sodium hydroxide 作用下， 反应 3.0h， 以142.7 g的产率得到2-methyl-3-(p-tolyl)propanoic acid
  参考文献：
  名称：

  一种茚酮类化合物的制备方法

  摘要：

  本发明涉及有机合成领域，特别是涉及一种茚酮类化合物的制备方法。本发明提供一种茚酮类化合物的制备方法，包括：1）将式I化合物与式II化合物进行缩合反应，制备获得式III化合物；2）将式III化合物在碱存在的条件下水解，制备获得式IV化合物；3）将式IV化合物酰化、关环，制备获得式V化合物。本发明所提供的茚酮类化合物的制备方法与现有技术相比，具有原料成本低、操作简便、三废少、收率高等优点，更适合工业化生产，相对于现有技术中的各种茚酮类化合物的制备方法优势明显，具有良好的产业化前景。

  公开号：

  CN108329197A

文献信息

• [EN] NEW ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX COMPOSÉS ISOINDOLINE OU ISOQUINOLÉINE, PROCÉDÉ POUR LEUR PRÉPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SERVIER LAB

  公开号：WO2015011164A1

  公开（公告）日：2015-01-29

  Compounds of formula (I): (I) wherein Het, R3, R4, R5, R7, R8, R9, T, p, p', q, and q' are as defined in the description are pro-apoptotic agents useful in the treatment of cancers and of auto-immune and immune system diseases.

  式(I)的化合物：其中Het、R3、R4、R5、R7、R8、R9、T、p、p'、q和q'的定义如描述中所定义，是在治疗癌症以及自身免疫和免疫系统疾病中有用的促凋亡剂。
• Halogen substituted metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20070135595A1

  公开（公告）日：2007-06-14

  A metallocene compound is represented by the formula (1): wherein: M is a Group 3, 4, 5 or 6 transition metal atom, or a lanthanide metal atom, or actinide metal atom, preferably a Group 4 transition metal atom selected from titanium, zirconium or hafnium; E is a substituted or unsubstituted monocyclic or polycyclic arenyl ligand pi-bonded to M; A is a substituted or unsubstituted polycyclic arenyl ligand that is pi-bonded to M and has a different ring structure than the E ligand; at least one of the A and E ligands includes at least one halogen substituent directly bonded to an sp 2 carbon at a bondable ring position; Y is a bridging group containing at least one Group 13, 14, 15, or 16 element and any single position of the ring structure of A and to any single position of the ring structure of E; and y is zero or 1, indicating the absence (y=0) or presence (y=1) of Y; and each X is a univalent anionic ligand, or two X are joined and bound to the metal atom to form a metallocycle ring, or two X are joined to form a chelating ligand, a diene ligand, or an alkylidene ligand; provided that when E is an unsubstituted cyclopentadienyl ligand, either y is one or A is not 2-bromofluorenyl or 2,7-dibromofluorenyl.

  一个茂金属化合物的化学式如下（1）：其中：M是3、4、5或6族过渡金属原子，或镧系金属原子，或锕系金属原子，最好是从钛、锆或铪中选择的4族过渡金属原子；E是与M形成π键的取代或未取代的单环或多环芳基配体；A是与M形成π键且具有不同环结构于E配体的取代或未取代的多环芳基配体；A和E中至少一个包括至少一个卤素取代基，直接连接到可成键环位置的sp2碳上；Y是一个含有至少一个13、14、15或16族元素的桥联基，连接到A和E的环结构的任意单位置；y为0或1，表示Y的存在（y=0）或不存在（y=1）；每个X是一个一价阴离子配体，或两个X连接并与金属原子结合形成一个茂环，或两个X连接形成螯合配体、二烯配体或烷基亚甲基配体；但当E是未取代的环戊二烯基配体时，y为1或A不是2-溴萘基或2,7-二溴萘基。
• Pd-Catalyzed β-C(sp³ )−H Arylation of Propionic Acid and Related Aliphatic Acids
  作者：Kiron K. Ghosh、Manuel van Gemmeren

  DOI：10.1002/chem.201705449

  日期：2017.12.14

  A generally applicable Pd‐catalyzed protocol for the β‐C(sp3)−H arylation of propionic acid and related α‐branched aliphatic acids is reported. Enabled by the use of N‐acetyl‐β‐alanine as ligand our protocol delivers a broad range of arylation products. Notably, the highly challenging substrate, propionic acid, which lacks any acceleration through the Thorpe–Ingold effect, can be employed as substrate

  据报道，丙酸和相关的α-支链脂肪酸的β-C（sp 3）-H芳基化反应普遍采用钯催化方案。通过使用N-乙酰基-β-丙氨酸作为配体，我们的方案可提供多种芳基化产物。值得注意的是，具有挑战性的底物丙酸可以通过合成获得有用的收率，而丙酸由于其索普-英戈尔德效应而没有任何加速作用，因此可以用作底物。此外，还演示了该协议的可伸缩性和综合适用性。
• Catalytic Enantioselective Desymmetrization of Cyclobutane-1,3-diones by Carbonyl-Amine Condensation
  作者：Kai-Ge Wen、Chao Liu、Dong-Hui Wei、Yan-Fei Niu、Yi-Yuan Peng、Xing-Ping Zeng

  DOI：10.1021/acs.orglett.1c00067

  日期：2021.2.5

  A chiral phosphoric acid-catalyzed enantioselective condensation of 2,2-disubstituted cyclobutane-1,3-diones with a primary amine is described. This reaction offered a mild and efficient protocol for constructing quaternary carbon-containing cyclobutanes in good to high yields and enantioselectivities. This reaction is the first catalytic desymmetrizing carbonyl-amine condensation reaction and also

  描述了2，2-二取代的环丁烷-1，3-二酮与伯胺的手性磷酸催化的对映选择性缩合。该反应提供了温和而有效的方案，用于以高至高产率和对映选择性构建含季碳的环丁烷。该反应是第一个催化脱对称的羰基-胺缩合反应，也代表了前手性环丁烷-1,3-二酮的第一个催化脱对称的反应。
• Compound for chelating a metal, radiopharmaceutical, manufacturing process therefor, and diagnostic kit
  申请人：——

  公开号：US20040043920A1

  公开（公告）日：2004-03-04

  The present invention provides a compound for chelating a metal or a metal complex, characterized in that it consists of a bis-dithiocarbamate structure (F) having the formula below: 1 in which n and m are integers such that 5≦m+n≦10, X is chosen independently from S and NH, R 1 , R 2 , R 3 and R 4 are chosen independently from H and an organic function chosen from —COOR 5 , NR 5 R 6 and —CH 2 OR 5 in which R 5 and R 6 , when it is present, are chosen independently from a hydrogen; an amino acid; a peptide; a protein; monoclonal antibody; a hormone; and a pharmaceutically acceptable vector. The present invention also provides a diagnostic kit comprising a chelating compound according to the present invention.

  本发明提供了一种用于螯合金属或金属配合物的化合物，其特征在于它由具有以下公式的双二硫代氨基甲酸酯结构（F）组成： 其中n和m是整数，使得5≤m+n≤10，X独立选择自S和NH，R1、R2、R3和R4独立选择自H和有机功能，选择自—COOR5、NR5R6和—CH2OR5，其中R5和R6（如果存在）独立选择自氢；氨基酸；肽；蛋白质；单克隆抗体；激素；和药用可接受载体。本发明还提供了一个诊断试剂盒，其中包括根据本发明的螯合化合物。