1-硝基-4-戊基苯 | 95857-32-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-硝基-4-戊基苯
• 英文名称: 1-(4-nitrophenyl)pentane
• 英文别名: 4-pentylnitrobenzene；1-nitro-4-pentyl-benzene；1-Nitro-4-pentyl-benzol；4-Pentyl-nitrobenzol；Benzene, 1-nitro-4-pentyl-；1-nitro-4-pentylbenzene
• CAS: 95857-32-2
• 化学式: C₁₁H₁₅NO₂
• 分子量: 193.246
• InChiKey: ZHXFSPASCJVKKA-UHFFFAOYSA-N

物化性质

• 沸点：
  295.2±9.0 °C(Predicted)
• 密度：
  1.052±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-硝基-4-戊基苯 在 2-双环己基膦-2',6'-二甲氧基联苯 、 盐酸 、 potassium hydrogen fluoride 、 palladium on activated charcoal 、 氢气 、 palladium diacetate 、 三乙胺 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醇 、 水 为溶剂， 反应 1.5h， 生成 4-戊基苯硼酸
  参考文献：
  名称：

  Design and synthesis of boronic acid inhibitors of endothelial lipase

  摘要：

  Endothelial lipase (EL) and lipoprotein lipase (LPL) are homologous lipases that act on plasma lipoproteins. EL is predominantly a phospholipase and appears to be a key regulator of plasma HDL-C. LPL is mainly a triglyceride lipase regulating (V)LDL levels. The existing biological data indicate that inhibitors selective for EL over LPL should have anti-atherogenic activity, mainly through increasing plasma HDL-C levels. We report here the synthesis of alkyl, aryl, or acyl-substituted phenylboronic acids that inhibit EL. Many of the inhibitors evaluated proved to be nearly equally potent against both EL and LPL, but several exhibited moderate to good selectivity for EL. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.043
• 作为产物：
  描述：

  戊基苯 在 硝酸 、 乙酸酐 作用下， 反应 2.0h， 以49%的产率得到1-硝基-4-戊基苯
  参考文献：
  名称：

  Synthesis and evaluation of 4-alkylanilines as mammary tumor inhibiting aromatase inhibitors

  摘要：

  The 4-alkylanilines 1-20 were synthesized to elucidate the importance of the glutarimide moiety for the aromatase inhibiting activity of aminoglutethimide [3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione, AG], the only non-steroidal aromatase inhibitor which is commercially available at present. The most interesting compounds were the (4-aminophenyl)cycloalkanes 4-6 (4, c-pentyl; 5, c-hexyl; 6, c-heptyl) and the 1-alkyl-1-(4-aminophenyl)cyclohexanes 1-3 (1, CH3; 2, C2H5; 3, n-C3H7). Derivatives 1-6 are stronger inhibitors of human placental aromatase than AG exhibiting relative potencies from 1.5 to 2.7 (AG=1). For selectivity of action, the inhibition of desmolase (cholesterol side chain cleavage enzyme) was determined. Compounds 1-3 showed an inhibition comparable to AG, whereas compounds 4-6 exhibited no effect on desmolase. Being more potent and selective aromatase inhibitors in vitro, compounds 4-6, however, were not superior to AG in vivo, when the reduction of plasma estradiol concentration and the tumor inhibiting activity (PMSG-primed SD rats and DMBA-induced mammary carcinoma of the SD rat, postmenopausal model) were concerned.

  DOI：

  10.1016/0223-5234(92)90188-7

文献信息

• CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY
  申请人：Parion Sciences, Inc.

  公开号：US20140171447A1

  公开（公告）日：2014-06-19

  This invention provides compounds of the formula I: and their pharmaceutically acceptable salts, useful as sodium channel blockers, compositions containing the same, therapeutic methods and uses for the same and processes for preparing the same.

  这项发明提供了式I的化合物及其药用盐，可用作钠通道阻滞剂，包含这些化合物的组合物，以及用于这些化合物的治疗方法和用途，以及制备这些化合物的方法。
• Alkylation of Aldehyde (Arenesulfonyl)hydrazones with Trialkylboranes
  作者：George W. Kabalka、John T. Maddox、Ekaterini Bogas、Shane W. Kelley

  DOI：10.1021/jo962089q

  日期：1997.5.1

  (Arenesulfonyl)hydrazone derivatives of aryl aldehydes are readily alkylated by trialkylboranes in the presence of base to generate new organoboranes that may be converted to the corresponding substituted alkanes or alcohols depending upon the reaction conditions chosen. Both tosyl- and trisylhydrazone derivatives can be utilized in the reaction, which tolerates a variety of functional groups, making it a versatile alternative to both the Grignard and Suzuki-coupling reactions.

  (对甲苯磺酰)腙衍生物类的芳醛或芳香族醛类经三烷基硼烷在碱性条件下的甲基化反应，可生成新的有机硼烷，这些产物能够根据所选择的反应条件转化为相应的取代烷烃或醇。无论是对甲苯磺酰腙衍生物还是三苯基甲磺酰腙衍生物，均可参与此反应，且该反应能够耐受多种官能团，从而成为格氏反应和Suzuki偶联反应之外的一种多功能的替代方法。
• [EN] MACROCYCLES AS KINASE INHIBITORS<br/>[FR] MACROCYCLES UTILISÉS EN TANT QU'INHIBITEURS DE KINASES
  申请人：MERCK PATENT GMBH

  公开号：WO2014180524A1

  公开（公告）日：2014-11-13

  Compounds of the formula I in which X, Y, Q1, M, Q2 and B have the meanings indicated in Claim 1, are inhibitors of GCN2, and can be employed, inter alia, for the treatment of cancer.

  式I中X、Y、Q1、M、Q2和B具有权利要求1中所指示的含义的化合物是GCN2的抑制剂，可用于治疗癌症。
• Macrocyclic Compounds And Methods Of Making And Using The Same
  申请人：Farmer J. Jay

  公开号：US20080045585A1

  公开（公告）日：2008-02-21

  The present invention provides macrocyclic compounds useful as therapeutic agents. More particularly, these compounds are useful as anti-infective, anti-proliferative, anti-inflammatory, and prokinetic agents.

  本发明提供了一种用作治疗剂的大环化合物。更具体地说，这些化合物可用作抗感染、抗增殖、抗炎和促动力剂。
• MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME
  申请人：Farmer Jay J.

  公开号：US20120252747A1

  公开（公告）日：2012-10-04

  The present invention provides macrocyclic compounds useful as therapeutic agents of the formula: or a pharmaceutically acceptable salt, ester, N-oxide, or prodrug thereof, wherein T, R 1 , R 2 , R 3 , D, E, F, and G are as defined herein. More particularly, these compounds are useful as anti-infective, antiproliferative, anti-inflammatory and prokinetic agents.

  本发明提供了通式为的大环化合物，可用作治疗剂，或其药学上可接受的盐、酯、N-氧化物或前药，其中T、R1、R2、R3、D、E、F和G如本文所定义。更具体地，这些化合物可用作抗感染、抗增殖、抗炎和促动力剂。