(3-氨基苯基)2,2-二甲基丙酸酯 | 173035-06-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: (3-氨基苯基)2,2-二甲基丙酸酯
• 英文名称: 3-((trimethylacetyl)oxy)aniline
• 英文别名: 3-aminophenylpivalate；3-Aminophenyl 2,2-dimethylpropanoate；(3-aminophenyl) 2,2-dimethylpropanoate
• CAS: 173035-06-8
• 化学式: C₁₁H₁₅NO₂
• 分子量: 193.246
• InChiKey: FFQYYRYSKOPMBQ-UHFFFAOYSA-N

物化性质

• 沸点：
  310.0±25.0 °C(Predicted)
• 密度：
  1.080±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3-氨基苯基)2,2-二甲基丙酸酯 在 palladium on activated charcoal 氢气 、 copper(l) chloride 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 为溶剂， 生成 1,2,3,4-tetrahydro-2,2-dimethyl-7-(1,1,1-trimethylacetoxy)quinoline
  参考文献：
  名称：

  Nonsteroidal androgen receptor agonists based on 4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one

  摘要：

  A series of 2H-pyrano[3,2-g]quinolin-2-ones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one, displayed moderate interaction with hAR, but substituted analogues were potent hAR modulators in vitro as mesaured by an hAR cotransfection assay in CV-I cells and bound to hAR with high affinity in a whole cell assay. Several analogues were able to activate hAR-mediated gene transcription more potently and efficaciously than dihydrotestosterone. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00118-3
• 作为产物：
  描述：

  3-nitrophenyl 2,2-dimethylpropanoate 在 铁粉 、 溶剂黄146 作用下， 反应 4.0h， 以80%的产率得到(3-氨基苯基)2,2-二甲基丙酸酯
  参考文献：
  名称：

  烷基咔唑的钯催化合成及其在石油和烃源岩中的鉴定**

  摘要：

  研究了来自不同来源的石油样品，发现它们显示出 C 2 -烷基咔唑的特征 GC-MS 模式。用作分析标准的乙基咔唑和二甲基咔唑是通过钯催化合成制备的。

  DOI：

  10.1002/ejoc.202200456

文献信息

• [EN] PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES<br/>[FR] ANTAGONISTES DE RECEPTEUR DE LA PROSTAGLANDINE D2 POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：MILLENNIUM PHARM INC

  公开号：WO2005100321A1

  公开（公告）日：2005-10-27

  Disclosed herein are compounds represented by Structural Formula: (I) and (I-A). Also disclosed is the use of such compounds for inhibiting the G-protein coupled receptor referred to as chemoattractant receptor-homologous molecule expressed on Th2, or simply 'CRTH2' for the treatment of inflammatory disorders. The variables in Structural Formula (I) and (I-A) are defined herein.

  本文披露了由结构式(I)和(I-A)表示的化合物。还披露了利用这些化合物抑制称为趋化剂受体同源分子表达在Th2上的G蛋白偶联受体，简称为'CRTH2'，用于治疗炎症性疾病。结构式(I)和(I-A)中的变量在此处被定义。
• PGD2 receptor antagonists for the treatment of inflammatory diseases
  申请人：Ghosh Shomir

  公开号：US20050256158A1

  公开（公告）日：2005-11-17

  Disclosed herein are compounds represented by Structural Formula (I) and (I-A): Also disclosed is the use of such compounds for inhibiting the G-protein coupled receptor referred to as chemoattractant receptor-homologous molecule expressed on Th2, or simply “CRTH2” for the treatment of inflammatory disorders. The variables in Structural Formula (I) and (I-A) are defined herein.

  本文揭示了由结构式（I）和（I-A）表示的化合物：还披露了利用这些化合物抑制称为Th2表达的G蛋白偶联受体的化学引诱受体同源分子，简称“CRTH2”，用于治疗炎症性疾病。结构式（I）和（I-A）中的变量在此处被定义。
• Highly Chemoselective Acylation of Substituted Aminophenols with 3-(Trimethylacetyl)-1,3-thiazolidine-2-thione
  作者：Wei-Min Dai、Yuk King Cheung、Kit Wan Tang、Pui Yiu Choi、Suet Lam Chung

  DOI：10.1016/0040-4020(95)00783-5

  日期：1995.11

  A general procedure for chemoselective acylation of substituted aminophenols has been developed. The N-acylated products 7 and 10a-h were prepared by treating the aminophenols with 3 (trimethylacetyl)-1,3-thiazolidine-2-thione (1) in refluxing THF in 70–100% yield. The esters 8 and 13d,b,j of 3- and 4-amino phenols could be obtained in 70–94% yield by treating with NaH and 1.

  已经开发了取代氨基酚的化学选择性酰化的一般方法。所述Ñ -acylated制品7和图10A-H是通过用3（三甲基乙酰基）氨基苯酚制备-1,3-噻唑烷-2-硫酮（1）在70-100％收率回流THF。通过用NaH和1处理，可以以70-94％的收率获得3-和4-氨基苯酚的酯8和13d，b，j。
• Snapshot of the Palladium(II)-Catalyzed Oxidative Biaryl Bond Formation by X-ray Analysis of the Intermediate Diaryl Palladium(II) Complex
  作者：Tobias Gensch、Marika Rönnefahrt、Regina Czerwonka、Anne Jäger、Olga Kataeva、Ingmar Bauer、Hans-Joachim Knölker

  DOI：10.1002/chem.201103576

  日期：2012.1.16

  proceeding via a double CH bond activation has been isolated and fully characterized, including an X‐ray crystal structure analysis (see figure). Stabilization due to chelation by adjacent pivaloyloxy and acetyl groups has allowed the isolation of this long‐sought crucial intermediate. On gentle warming, the complex is transformed into a carbazole product, and the catalytically active PdII species is regenerated

  Pd II 起作用：通过双CH键活化过程进行的Pd II催化的氧化联芳基键形成过程中的二芳基Pd II中间体已被分离并得到了充分表征，包括X射线晶体结构分析（见图） 。由于相邻的新戊酰氧基和乙酰基螯合而产生的稳定作用已使这种长期寻求的关键中间体得以分离。温和加热后，该配合物转变为咔唑产物，而具有催化活性的Pd II物种则通过用Cu II氧化而再生。
• Steroid receptor modulator compounds and methods
  申请人：Ligand Pharmaceuticals Incorporated

  公开号：US05688810A1

  公开（公告）日：1997-11-18

  Non-steroidal compounds which are high affinity, high selectivity modulators for steroid receptors are disclosed. Also disclosed are pharmaceutical compositions incorporating such compounds, methods for employing the disclosed compounds and compositions for treating patients requiring steroid receptor agonist or antagonist therapy, intermediates useful in the preparation of the compounds and processes for the preparation of the steroid receptor modulator compounds.

  本发明揭示了高亲和力、高选择性的非甾体化合物，用于调节类固醇受体。同时，揭示了包含这些化合物的制药组合物，以及使用这些化合物和组合物治疗需要类固醇受体激动剂或拮抗剂治疗的患者的方法，还揭示了制备这些化合物的中间体以及制备类固醇受体调节剂的过程。