2,4-dibromo-6-isopropylaniline | 81090-45-1

• 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: 2,4-dibromo-6-isopropylaniline
• 英文别名: 2,4-dibromo-6-propan-2-ylaniline
• CAS: 81090-45-1
• 化学式: C₉H₁₁Br₂N
• 分子量: 293.001
• InChiKey: OKIHDLUSXGDARZ-UHFFFAOYSA-N

物化性质

• 沸点：
  304.6±37.0 °C(Predicted)
• 密度：
  1.682±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921420090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H312,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  2,4-dibromo-6-isopropylaniline 在 2-均三甲苯基-2,5,6,7-四氢吡咯并[2,1-C][1,2,4]三唑-4-鎓氯化物 、 N,N-二异丙基乙胺 、 硫脲 作用下， 以 甲苯 为溶剂， 反应 40.0h， 生成 1'-(2,4-dibromo-6-isopropylphenyl)spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetraone
  参考文献：
  名称：

  NHC催化的N-芳基马来酰亚胺的不对称化导致N-芳基琥珀酰亚胺的对映选择性合成

  摘要：

  尽管导致手性C-C键的轴向合成导致联芳基和相关化合物的对映选择性合成是众所周知的，但带有轴向手性C-N键的化合物的相关合成却相对较少。本文描述的是通过N-芳基马来酰亚胺的去对称化作用，对具有轴向手性C-N键的N-芳基琥珀酰亚胺进行N-杂环卡宾催化的对位选择性合成。NHC涉及分子间的二醛与前手性N-芳基马来酰亚胺的分子间Stetter-aldol级联反应，然后氧化得到N-芳基琥珀酰亚胺，具有良好的收率和ee值。还提供了有关C–N键的旋转势垒，温度依赖性的初步研究，以及有关机理的详细DFT研究。

  DOI：

  10.1002/anie.202016938

文献信息

• [EN] BLUE LUMINESCENT COMPOUND AND DIASTEREOMERS THEREOF<br/>[FR] COMPOSÉ LUMINESCENT BLEU ET SES DIASTÉRÉOISOMÈRES
  申请人：DU PONT

  公开号：WO2015175130A1

  公开（公告）日：2015-11-19

  There is provided a composition which is capable of being separated into diastereomeric pairs of enantiomers. The compound has (Formula I) In Formula I: Ar' can be aryl or deuterated aryl; R1 can be H, D, alkyl, silyl, aryl, or a deuterated analog thereof; R2 is different from R1 and can be H, D, alkyl, silyl, aryl, or a deuterated analog thereof, with the proviso that only one of R1 and R2 is H or D; R3 is the same or different at each occurrence and can be D, alkyl, silyl, aryl, or a deuterated analog thereof; a is an integer from 0-3; and b is an integer from 0-4.

  提供了一种能够分离成对映异构体对的组合物。该化合物具有（化学式I）在化学式I中：Ar'可以是芳基或氘代芳基；R1可以是H、D、烷基、硅基、芳基或其氘代物；R2与R1不同，可以是H、D、烷基、硅基、芳基或其氘代物，但R1和R2中只有一个是H或D；R3在每次出现时可以相同也可以不同，可以是D、烷基、硅基、芳基或其氘代物；a是0-3之间的整数；b是0-4之间的整数。
• Highly Quantum Efficient Phosphorescent Sky Blue Emitters Based on Diastereomeric Iridium(III) Complexes of Atropisomeric 5-Aryl-4<i>H</i>-1,2,4-triazole Ligands
  作者：Jerald Feldman、Giang D. Vo、Charles D. McLaren、Troy C. Gehret、Kyung-Ho Park、Jeffrey S. Meth、Will J. Marshall、Joseph Buriak、Lois M. Bryman、Kerwin D. Dobbs、Thomas H. Scholz、Steve G. Zane

  DOI：10.1021/acs.organomet.5b00198

  日期：2015.8.10

  Homoleptic fac-(IrL3)-L-III complexes of 5-ary1-4H-1,2,4-triazole ligands are sky blue emitters. When unsymmetrically substituted, the triazole ligands exhibit atropisomerism, and upon cyclometalation to Ir(III) a mixture of diastereomers Ph is formed. We have isolated and structurally characterized all four possible diastereomers of the fac-(IrL3)-L-III complex formed Ph upon cyclometalation of an atropisomeric 5-ary1-4H-1,2,4-triazole ligand onto The phosphorescent blue emitting materials reported herein are among the most efficient to date, with quantum efficiencies above 95%.
• N-(2,4,7-trinitrofluorenylidene)anilines—new electron transport materials in positive charge electrophotography
  作者：Masaki Matsui、Katsuyoshi Shibata、Hiroshige Muramatsu、Hiroyuki Nakazumi

  DOI：10.1039/jm9960601113

  日期：——

  New electron transport materials, N-(2,4,7-trinitrofluorenylidene)-2,6-dialkyanilines, show excellent properties in positive charge electrophotography. Single-crystal X-ray diffraction analyses of two of these compounds are reported. The high solubility of N-(2,4,7-trinitrofluorenylidene)-2,6-diethylanilines could be mainly attributed to the loss of overlap between intermolecular fluorene rings due to the bulkiness of the ethyl groups.
• Catalytic Atroposelective Synthesis of <i>N</i>-Aryl Quinoid Compounds
  作者：Sagar D. Vaidya、Sean T. Toenjes、Nobuyuki Yamamoto、Sean M. Maddox、Jeffrey L. Gustafson

  DOI：10.1021/jacs.9b12994

  日期：2020.2.5

  Diarylamines and related scaffolds are among the most common chemotypes in modern drug discovery. While they can potentially possess two chiral axes, there are no studies on their enantioselective synthesis, as these axes typically possess lower stereochemical stabilities. Herein, we report a chiral phosphoric acid catalyzed atroposelective electrophilic halogenation of N-aryl quinoids, a class of compounds that are analogous to diarylamines. This chemistry yields a large range of stereochemically stable N-aryl quinoids in excellent yields and atroposelectivity. This work represents the first example of the atroposelective synthesis of a diarylamine-like scaffold and will serve as a gateway to fundamental and applied studies on the scarcely studied chirality of these ubiquitous chiral scaffolds.
• USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD)
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20190000860A1

  公开（公告）日：2019-01-03

  In some aspects, the instant disclosure relates to methods of treating chronic graft versus host disease (cGVHD). In some embodiments, the method comprises administering to a subject in need thereof a EZH2 inhibitor, a Bcl6 inhibitor and/or BRD4 inhibitor. The present disclosure is based, at least in part, on the discovery that enhancer of zeste homolog 2 (EZH2) inhibitors, B-cell lymphoma 6 protein (Bcl6) inhibitors and/or bromodomain-containing protein 4 (BRD4) inhibitors can be used to treat chronic graft versus host disease (cGVHD).