4,6,-二(氯甲基)间二甲苯 | 1585-15-5

• 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: 4,6,-二(氯甲基)间二甲苯
• 英文名称: 4,6-bis(chloromethyl)-m-xylene
• 英文别名: 1,5-bis(chloromethyl)-2,4-dimethylbenzene；1,3-bis(chloromethyl)-4,6-dimethylbenzene；1,3-Dimethyl-4,6-bis-chlormethyl-benzol；1,3-dimethyl-4,6-bis(chloromethyl)benzene；1,5-Dimethyl-2,4-bis-chlormethyl-benzol；4,6-Bis(chlormethyl)-m-xylol
• CAS: 1585-15-5
• 化学式: C₁₀H₁₂Cl₂
• mdl: MFCD00013680
• 分子量: 203.111
• InChiKey: JALHTPIEJQBDEN-UHFFFAOYSA-N

物化性质

• 熔点：
  97 °C
• 沸点：
  291.9±35.0 °C(Predicted)
• 密度：
  1.145±0.06 g/cm3(Predicted)
• 保留指数：
  1572;1561

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2903999090
• 危险品运输编号：
  UN 3261

反应信息

• 作为反应物：
  描述：

  4,6,-二(氯甲基)间二甲苯 在 1-己基-3-甲基四氟甲烷磺酸咪唑鎓 、 三乙烯二胺 、 copper(II) 2-ethylhexanoate 、 bis(acetylacetonate)oxovanadium 、 氧气 作用下， 120.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 生成 均苯四甲酸
  参考文献：
  名称：

  An inexpensive and efficient synthetic method for the preparation of pyromellitic dianhyride in ionic liquid

  摘要：

  In this article, pyromellitic dianhydride could be successfully obtained in 76.7% total yield by an aerobic oxidation of 1,4-bis(chloromethyl)-2,5-dimethylbenzene or 1,5-bis(chloromethyl)-2,4-dimethylbenzene catalyzed by VO(acac)(2)/Cu(2-Eth)(2)/DABCO in [hmim]OTf and a subsequent dehydration of pyromellitic acid upon heating with acetic anhydride. The starting materials including 1,2-bis(chloromethyl)-4,5-dimethylbenzene were prepared by dichloromethylation of their corresponding xylene catalyzed by [C(12)mim]Br in aqueous media.

  DOI：

  10.3998/ark.5550190.0011.907
• 作为产物：
  描述：

  间二甲苯 生成 4,6,-二(氯甲基)间二甲苯
  参考文献：
  名称：

  v. Braun; Nelles, Chemische Berichte, 1934, vol. 67, p. 1094,1096

  摘要：

  DOI：

文献信息

• Shipboard measurements of concentrations and properties of carbonaceous aerosols during ACE-2
  作者：T. Novakov、Timothy S. Bates、Patricia K. Quinn

  DOI：10.3402/tellusb.v52i2.16102

  日期：——

  Mass concentrations of total, organic and black carbon were derived by analyzing the supermicron and submicron aerosol fractions of shipboard collected samples in the easternAtlantic Ocean as part of the second Aerosol Characterization Experiment (ACE-2). These analyses were complemented by experiments intended to estimate the water-soluble fraction of the submicron carbonaceous material. Our results can be summarized as follows. Depending on the sample, between 35% and 80% of total aerosol carbon is associated with the submicron fraction. Total submicron carbon was well correlated with black carbon, a unique tracer for incomplete combustion. These correlations and the approximately constant total to black carbon ratios, suggest that the majority of submicron total carbon is of primary combustion derived origin. No systematic relationship between total submicron aerosol carbon and sulfate concentrations was found. Sulfate concentrations were, with a few exceptions, significantly higher than total carbon. Our experiments have demonstrated that water exposure removed between 36% and 72% of total carbon from the front filter, suggesting that a substantial fraction of the total submicron aerosol organic carbon is water-soluble. An unexpected result of this study is that water exposure of filter samples caused substantial removal of, nominally insoluble, submicron black carbon. Possible reasons for this observation are discussed.

  通过分析收集于大西洋东部作为第二次气溶胶特性实验（ACE-2）一部分的机载超细和亚微米气溶胶颗粒样品，得出了总碳、有机碳和黑碳的质量浓度。这些分析是通过旨在估计亚微米碳质材料的水溶性部分的实验来补充的。我们的结果可以总结如下。根据样品的不同，总气溶胶碳的35%到80%与亚微米部分有关。总亚微米碳与黑碳（不完全燃烧的独特示踪剂）有很好的相关性。这些相关性和总碳与黑碳的近似恒定比率表明，大多数亚微米总碳起源于主要的燃烧来源。没有发现总亚微米气溶胶碳和硫酸盐浓度之间的系统关系。除了少数例外，硫酸盐浓度显著高于总碳。我们的实验表明，水暴露从前过滤器中移除了36%到72%的总碳，这表明相当一部分亚微米气溶胶有机碳是水溶性的。本研究的一个意外结果是，过滤样品的水暴露导致名义上不溶性的亚微米黑碳大量去除。对此观察的可能原因进行了讨论。
• The synthesis of novel bisphosphonates as inhibitors of phosphoglycerate kinase (3-PGK)
  作者：Neil A. Caplan、Christopher I. Pogson、David J. Hayes、G. Michael Blackburn

  DOI：10.1039/a906507e

  日期：——

  A series of conformationally-restrained analogues of 1,3-bisphospho-D-glyceric acid (1,3-BPG) 1 has been synthesised for use as inhibitors of 3-PGK (E.C. 2.7.2.3). These compounds have non-scissile phosphonate linkages and also incorporate α-halogen substituents to make them isopolar and isosteric mimics of the natural substrate. A monocyclic aryl core between the two phosphoryl centres provides both

  合成了一系列1,3-双磷酸D-甘油酸（1,3-BPG）1的构象限制类似物以用作抑制剂3-PGK（EC 2.7.2.3）。这些化合物具有非断裂性的膦酸酯键，并且还掺入了α-卤素取代基，使它们成为天然底物的等极性和等规模拟物。单环芳基两个磷酰基中心之间的核提供了连接这些部分和基因座的刚性框架，以供进一步取代。这些化合物针对人类3-PGK进行了测试，发现具有良好的竞争性抑制剂。α-氟的膦酸将对酶的亲和力提高到亚微摩尔范围。IC 50数据与p K a 3和p K a 4值的相关性表明，磷酰基的酸度对蛋白质 捆绑。
• [EN] PHENYL mTORC INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE MTORC PHÉNYLE ET LEURS UTILISATIONS
  申请人：NAVITOR PHARM INC

  公开号：WO2018089433A1

  公开（公告）日：2018-05-17

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用相同的方法。
• Conformational investigation of N-aralkyl-bispyridinium dications by the Cotton-Mouton effect method
  作者：S.B. Bulgarevich、D.V. Bren、D.Ya. Movshovich、P. Finocchiaro、S. Failla

  DOI：10.1016/0022-2860(93)07896-5

  日期：1994.3

  Abstract Molar Cotton-Mouton constants and refractions are reported at 298 K for the following N -aralkyl-bispyridinium dications as solutes in water: 1,3-(CH 2 + NC 5 H 5 ) 2 C 6 H 4 , 1,3-(CH 2 + NC 5 H 4 -2′-Me) 2 C 6 H 4 , 1,3-(CH 2 + NC 5 H 5 ) 2 -4,6-Me 2 C 6 H 2 , 1,3-(CH 2 + NC 5 H 4 -2′-Me) 2 -4,6-Me 2 C 6 H 2 , 1,3-(CH 2 + NC 5 H 5 ) 2 -2,4,6-Me 3 C 6 H and 1,4-(CH 2 + NC 5 H 5 ) 2 -2,5-Me

  摘要 摩尔 Cotton-Mouton 常数和折射在 298 K 下报告了以下 N-芳烷基-双吡啶鎓在水中的溶质： 1,3-(CH 2 + NC 5 H 5 ) 2 C 6 H 4 , 1,3- (CH 2 + NC 5 H 4 -2′-Me) 2 C 6 H 4 , 1,3-(CH 2 + NC 5 H 5 ) 2 -4,6-Me 2 C 6 H 2 , 1,3- (CH 2 + NC 5 H 4 -2′-Me) 2 -4,6-Me 2 C 6 H 2 , 1,3-(CH 2 + NC 5 H 5 ) 2 -2,4,6-Me 3 C 6 H 和 1,4-(CH 2 + NC 5 H 5 ) 2 -2,5-Me 2 C 6 H 2 。根据溶液中阳离子采用的优选构象分析数据。实验数据与溶液中螺旋结构的存在一致，其中所有吡啶环和芳环相对于 C Ar CH 2 N Ar 参考平面在相同方向上
• Modulation of the coordination geometries of NCN and NCNC Rh complexes for ambidextrous chiral catalysts
  作者：Jun-ichi Ito、Takahiro Ishihara、Takaki Fukuoka、Siti Rokiah Binti Mat Napi、Hajime Kameo、Hisao Nishiyama

  DOI：10.1039/c9cc06520b

  日期：——

  A chirality switch between novel NCN pincer Rh complexes and a related double cyclometalated NCNC Rh complex containing secondary amino groups is described. Their catalytic abilities were determined in asymmetric alkynylation of ethyl trifluoropyruvate, and the change in the coordination geometry of the Rh catalysts affected the stereochemistry of the products.

  描述了新型NCN钳式Rh络合物与相关的含仲氨基的双环金属化NCNC Rh络合物之间的手性转换。在三氟丙酮酸乙酯的不对称炔基化反应中确定了它们的催化能力，Rh催化剂配位几何形状的变化影响了产物的立体化学。