3-(4-bromophenyl)butan-2-one | 21906-01-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(4-bromophenyl)butan-2-one
• CAS: 21906-01-4
• 化学式: C₁₀H₁₁BrO
• 分子量: 227.101
• InChiKey: LJVNHGDHWDQBTR-UHFFFAOYSA-N

物化性质

• 沸点：
  94-96 °C(Press: 1 Torr)
• 密度：
  1.341±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(4-bromophenyl)butan-2-one 在 甲酸 、 formamide 作用下， 反应 16.0h， 生成 2-(p-Bromphenyl)-3-butylamin
  参考文献：
  名称：

  Binovic,K.; Vrancea,S., Chimica Therapeutica, 1968, vol. 3, p. 313 - 320

  摘要：

  DOI：
• 作为产物：
  描述：

  对溴苯甲醛 在 盐酸 、 ammonium acetate 、 三氯化铁 、 铁粉 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 生成 3-(4-bromophenyl)butan-2-one
  参考文献：
  名称：

  Binovic,K.; Vrancea,S., Chimica Therapeutica, 1968, vol. 3, p. 313 - 320

  摘要：

  DOI：

文献信息

• Fe(II)-Catalyzed Amination of Aromatic C−H Bonds via Ring Opening of 2<i>H</i>-Azirines: Synthesis of 2,3-Disubstituted Indoles
  作者：Samaresh Jana、Mack D. Clements、Barry K. Sharp、Nan Zheng

  DOI：10.1021/ol101130e

  日期：2010.9.3

  A general method for the synthesis of 2,3-disubstituted indoles is described. The key feature of this method is the amination of aromatic C−H bonds via FeCl2-catalyzed ring opening of 2H-azirines. The method tolerates a variety of functional groups such as Br, F, NO2, OMe, CF3, OTBS, alkenes, and OPiv. The method can also be extended to synthesize azaindoles.

  描述了合成 2,3-二取代吲哚的一般方法。该方法的主要特征是通过 FeCl 2催化的 2 H -氮杂环开环使芳香族 CH 键胺化。该方法耐受多种官能团，例如 Br、F、NO 2、OMe、CF 3、OTBS、烯烃和 OPiv。该方法还可以扩展到合成氮杂吲哚。
• Ionic liquids for enhancing the enantioselectivity of isolated BVMO-catalysed oxidations
  作者：Cristina Rodríguez、Gonzalo de Gonzalo、Marco W. Fraaije、Vicente Gotor

  DOI：10.1039/c0gc00560f

  日期：——

  The present study describes the first-time usage of an isolated thermostable Baeyer–Villiger monooxygenase (phenylacetone monooxygenase, PAMO) in the presence of ionic liquids. The stability, activity and selectivity of PAMO as an oxidative enzyme in the presence of different ionic liquids were studied. This revealed that the addition of some specific ionic liquids, such Ammoeng™ 102 and [bmim]MeSO4, can significantly enhance the E-value in the oxidation of racemic benzylketones. Moreover, the use of ionic liquids increases the optimal substrate concentration for performing Baeyer–Villiger oxidation, thereby extending the biocatalytic repertoire of PAMO for synthetic applications.

  本研究首次报道了在离子液体存在下使用分离的耐热贝耶尔-维利格单氧合酶（苯丙酮单氧合酶，PAMO）的情况。研究了不同离子液体存在下，PAMO作为氧化酶的稳定性、活性和选择性。结果显示，添加某些特定离子液体，如Ammoeng™ 102和[bmim]MeSO4，可以显著提高消旋苯甲酮氧化反应的E值。此外，离子液体的使用提高了进行贝耶尔-维利格氧化反应的最佳底物浓度，从而扩大了PAMO在合成应用中的生物催化范围。
• Arenediazonium <i>o</i>-Benzenedisulfonimides in Heck-Type Arylation of Allylic Alcohols
  作者：Margherita Barbero、Silvano Cadamuro、Stefano Dughera

  DOI：10.1055/s-2006-950245

  日期：2006.10

  with primary and secondary allylic alcohols. The reactions, carried out in aqueous ethanol in the presence of palladium(II) acetate as precatalyst and sodium hydrogen carbonate as base, gave the arylation products with good overall conversion. In all cases, the major products were the β-arylated carbonyl derivatives. The o-benzene-disulfonimide was recovered in high yield from all the reactions, and it

  芳烃重氮邻苯二磺酰亚胺与伯和仲烯丙醇反应。在醋酸钯 (II) 作为预催化剂和碳酸氢钠作为碱的存在下，在含水乙醇中进行的反应得到了具有良好总转化率的芳基化产物。在所有情况下，主要产物都是 β-芳基化羰基衍生物。从所有反应中以高收率回收邻苯二磺酰亚胺，并将其循环用于制备其他盐。
• [EN] FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS<br/>[FR] PYRIDINE ET DÉRIVÉS DE PYRIMIDINE À L'ÉTAT FONDU À TITRE DE MODULATEURS ROR GAMMA
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2015083130A1

  公开（公告）日：2015-06-11

  The present invention provides fused pyridine and pyrimidine derivatives of formula (I), which may be therapeutically useful, more particularly as RORγ modulators; in which Ra, Rb, A, B, X, P, Q, L, R4, R5 and m have the meanings given in the specification, and pharmaceutically acceptable salts thereof that are useful in the treatment and prevention of diseases or disorder, in particular their use in disease(s) or disorder(s) where there is an advantage in modulating RORγ receptor. The present invention also provides preparation of the compounds and pharmaceutical formulations comprising at least one of the fused pyridine and pyrimidine derivatives of formula (I), together with a pharmaceutically acceptable carrier, diluent or excipient therefor.

  本发明提供了公式（I）的融合吡啶和嘧啶衍生物，可能在治疗上有用，更特别地作为RORγ调节剂；其中Ra、Rb、A、B、X、P、Q、L、R4、R5和m的含义如规范中所示，并且其药学上可接受的盐对于治疗和预防疾病或紊乱是有用的，特别是在调节RORγ受体方面具有优势的疾病或紊乱的使用。本发明还提供了该化合物的制备以及包含至少一种公式（I）的融合吡啶和嘧啶衍生物的制药配方，连同药学上可接受的载体、稀释剂或赋形剂。
• Transition metal-free asymmetric and diastereoselective allylic alkylation using Grignard reagents: construction of vicinal stereogenic centers via kinetic resolution
  作者：David Grassi、Alexandre Alexakis

  DOI：10.1039/c4sc01003e

  日期：——

  The first transition metal-free diastereoselective and enantioselective asymmetric allylic alkylation (AAA) has been disclosed leading to the construction of vicinal tertiary/quaternary centers via a kinetic resolution protocol starting from readily available starting materials. This procedure is chemically appealing since no consecutive AAA or stereoselective metal-catalyzed/chiral ligand AAAs are

  已经公开了第一种无过渡金属的非对映选择性和对映选择性不对称烯丙基烷基化（AAA），其通过动力学拆分方案从容易获得的起始原料开始，构造了邻级的叔/季中心。该步骤在化学上具有吸引力，因为不需要连续的AAA或立体选择性金属催化/手性配体AAA即可构建两个立体中心。