1-苄基-4-(溴甲基)苯 | 54588-96-4

• 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-苄基-4-(溴甲基)苯
• 英文名称: 1-(bromomethyl)-4-(phenylmethyl)-benzene
• 英文别名: 1-benzyl-4-(bromomethyl)benzene；4-Benzylbenzyl bromide；4-benzyl-1-bromomethylbenzene
• CAS: 54588-96-4
• 化学式: C₁₄H₁₃Br
• 分子量: 261.161
• InChiKey: XZIHYPJFCNCLDP-UHFFFAOYSA-N

物化性质

• 沸点：
  335.5±11.0 °C(Predicted)
• 密度：
  1.316±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-苄基-4-(溴甲基)苯 在 palladium on barium sulfate N,O-双三甲硅基乙酰胺 、 氢气 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 1.5h， 生成
  参考文献：
  名称：

  Inhibition of MMP-1 and MMP-13 with phosphinic acids that exploit binding in the S2 pocket

  摘要：

  Through the use of empirical and computational methods, phosphinate-based inhibitors of MMP-1 and MMP-13 that bind into the S-2 pocket of these enzymes were designed. The synthesis and testing of 2 suggested that binding was occurring as hypothesized. Structure determination of a co-crystal of 2 bound to the catalytic domain of MMP-1 confirmed the binding mode. Substituents binding into S-2, S-1', S-2' and S-3', were optimized yielding compounds with low double-digit nM IC50's against these enzymes. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00729-x
• 作为产物：
  描述：

  4-benzylbenzyl alcohol 生成 1-苄基-4-(溴甲基)苯
  参考文献：
  名称：

  Aromatic diketones

  摘要：

  通过将适当的芳基-脂肪基卤化物与β-二酮的碱金属盐相互作用，制备了由芳基-脂肪基替代的β-二酮，其中脂肪链被一个环状基团中断，并且这些化合物可用作抗病毒剂。

  公开号：

  US04153719A1

文献信息

• IMIDAZOPYRIDINE COMPOUNDS
  申请人：Iwata Hidehisa

  公开号：US20100069431A1

  公开（公告）日：2010-03-18

  Compounds, pharmaceutical compositions, kits and methods are provided for use with glucokinase that comprise a compound selected from the group consisting of formula (I) wherein the variables are as defined herein.

  提供了用于与葡萄糖激酶一起使用的化合物、药物组合物、试剂盒和方法，其中包括从以下公式(I)所述的组中选择的化合物，其中变量如本文所定义。
• Nitrenium Salts in Lewis Acid Catalysis
  作者：Meera Mehta、Jose M. Goicoechea

  DOI：10.1002/anie.201915547

  日期：2020.2.10

  compounds featuring nitrogen atoms are typically regarded as Lewis bases and are extensively employed as donor ligands in coordination chemistry or as nucleophiles in organic chemistry. By contrast, electrophilic nitrogen-containing compounds are much rarer. Nitrenium cations are a new family of nitrogen-based Lewis acids, the reactivity of which remains largely unexplored. In this work, nitrenium

  具有氮原子的分子化合物通常被视为路易斯碱，并广泛用作配位化学中的供体配体或有机化学中的亲核体。相比之下，亲电子的含氮化合物则少得多。氮阳离子是一种新的基于氮的路易斯酸，其反应性在很大程度上尚未得到探索。在这项工作中，探索了氮离子作为五种有机转化的催化剂。这些反应是使用氮作为底物活化位点的路易斯酸催化的第一个例子。而且，这些化合物很容易从市售试剂中获得，并且对水分显示出显着的稳定性，无需进行溶剂预处理即可进行台式转化。
• Microwave-Promoted Palladium Catalysed Suzuki Cross-Coupling Reactions of Benzyl Halides with Arylboronic Acid
  作者：Yu-Quan Zhang

  DOI：10.3184/174751913x13687900303985

  日期：2013.6

  Simple catalytic systems for the coupling of benzyl halides with phenylboronic acid under microwave conditions were tested. Microwave-promoted Suzuki reaction of arylboronic acid with benzyl halides catalysed by PdCl2(PPh3)2 in the mixed solvents DMF/H2O is reported to give diaryl methane derivatives in good to high yield.

  测试了用于在微波条件下将苄基卤与苯基硼酸偶联的简单催化系统。据报道，在混合溶剂 DMF/H2O 中，由 PdCl2(PPh3)2 催化的芳基硼酸与苄基卤化物的微波促进 Suzuki 反应以良好至高产率得到二芳基甲烷衍生物。
• Phosphinate based inhibitors of matrix metalloproteases
  申请人：Pfizer Inc.

  公开号：US06147061A1

  公开（公告）日：2000-11-14

  A compound of the formula ##STR1## wherein R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6 and Ar are as defined above, useful in the treatment of a condition selected from the group consisting of arthritis, cancer, synergy with cytotoxic anticancer agents, tissue ulceration, macular degeneration, restenosis, periodontal disease, epidermolysis bullosa, scleritis, in combination with standard NSAID'S and analgesics and other diseases characterized by matrix metalloproteinase activity, AIDS, sepsis, septic shock and other diseases involving the production of TNF. In addition, the compounds of the present invention may be used in combination therapy with standard non-steroidal anti-inflammatory drugs (NSAID'S) and analgesics, and in combination with cytotoxic drugs such as adriamycin, daunomycin, cis-platinim, etoposide, taxol, taxotere and other alkaloids, such as vincristine, in the treatment of cancer.

  一种化合物的化学式为##STR1##其中R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5、R.sup.6和Ar如上所定义，用于治疗从以下疾病组中选择的疾病：关节炎、癌症、与细胞毒性抗癌药物的协同作用、组织溃疡、黄斑变性、再狭窄、牙周病、表皮溃疡性水疱病、巩膜炎、与标准NSAID'S和止痛药联合使用以及其他以基质金属蛋白酶活性为特征的疾病、艾滋病、败血症、感染性休克和其他涉及TNF产生的疾病。此外，本发明的化合物可与标准非甾体类抗炎药（NSAID'S）和止痛药联合用于组合疗法，并与顺铂、多柔比星、顺铂、依托泊苷、紫杉醇、多西他赛和其他生物碱（如长春碱）等细胞毒性药物联合用于癌症治疗。
• Phenyl acetamides as sPLA2 inhibitors
  申请人：Eli Lilly and Company

  公开号：US06353128B1

  公开（公告）日：2002-03-05

  A class of novel phenyl acetamides is disclosed together with the use of such compounds for inhibiting sPLA2 mediated release of fatty acids for treatment of conditions such as septic shock.

  本发明公开了一类新型苯乙酰胺类化合物，以及利用这些化合物抑制sPLA2介导的脂肪酸释放，用于治疗诸如感染性休克等疾病的方法。