4-氯-6-甲基间苯基二异氰酸酯 | 15166-26-4

• 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: 4-氯-6-甲基间苯基二异氰酸酯
• 中文别名: 4-氯-6-甲基-m-二异氰酸亚苯酯；4-氯-6-甲基间亚苯基二异氰酸酯
• 英文名称: 4-chloro-6-methyl-m-phenylenediisocyanate
• 英文别名: 4-Chloro-6-methyl-m-phenylendiisocyanat；1-Chloro-2,4-diisocyanato-5-methylbenzene
• CAS: 15166-26-4
• 化学式: C₉H₅ClN₂O₂
• mdl: MFCD00013846
• 分子量: 208.604
• InChiKey: AULVDVFFHZBVDO-UHFFFAOYSA-N

物化性质

• 熔点：
  61-65 °C(lit.)
• 闪点：
  >230 °F
• 稳定性/保质期：

  在常温常压下稳定，应避免接触水分、潮湿氧化物、酒精和胺类物质。

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  58.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xn
• 安全说明：
  S22,S26,S36/37/39,S45
• 危险类别码：
  R20/22,R36/37/38,R42
• 海关编码：
  2929109000
• 包装等级：
  III
• 危险类别：
  6.1
• 危险品运输编号：
  UN 2811
• 危险标志：
  GHS07
• 危险性描述：
  H302,H312,H315,H319,H332,H335
• 危险性防范说明：
  P261,P280,P305 + P351 + P338

反应信息

• 作为反应物：
  描述：

  4-氯-6-甲基间苯基二异氰酸酯 、 1,2,3,4-四氢罂粟碱 以 乙腈 为溶剂， 以84%的产率得到N,N'-[1,3-benzene-{diyl-bis-(iminocarbonyl)-4-chloro-6-methyl}-bis-{1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline}]
  参考文献：
  名称：

  双（罂粟碱）类似物的合成和解痉活性评估。

  摘要：

  已经合成了一系列新的N-取代的双-（四氢罂粟碱）环系统，以期与罂粟碱相比具有更好的抗痉挛活性。描述了目标杂环的合成，并讨论了其结构活性关系。双-（四氢罂粟碱）类似物的一般合成方法包括四氢罂粟碱，各种哌嗪，二异氰酸酯和二异硫氰酸酯作为起始原料。药理学评估涉及使用连接至生理描记器的力位移传感器放大器对新鲜取出的豚鼠回肠进行体外解痉活性。在本研究合成的类似物中，N，N'-双-[2-氨基甲酰基-1-（3,4-二甲氧基苄基）-6,7-二甲氧基-1,2,3,4-四氢异喹啉基]哌嗪（22 ），

  DOI：

  10.1248/cpb.52.316

文献信息

• [EN] BISUREA GELLING AGENTS AND COMPOSITIONS<br/>[FR] AGENTS GÉLIFIANTS DE TYPE BIURÉE ET COMPOSITIONS ASSOCIÉES
  申请人：MILLIKEN & CO

  公开号：WO2013033300A1

  公开（公告）日：2013-03-07

  Bisurea gelling agents that impart a number of unexpected benefits within various gelled formulations and exhibit great versatility in terms of gelling capabilities for many types of solvents are provided. Such gelling agents should include pendant groups, such as sterically hindering alkyl groups attached to polyoxyalkylenated moieties that allow the gelling agent to be compatible with the target liquid system at elevated temperatures, while controlling and/or limiting the network formation and strength during the cooling cycle. The result is that a reliable, hard gel is formed that does not crash out of solution easily and that does not exhibit unwanted cracking or precipitating out within the final formulation. Alternatively, novel gelling agents having two urea groups but that are asymmetrical in configuration have been produced in order to provide the same control in temperature, compatibility, and efficiency. Final gelled formulations, such as antiperspirant sticks and other like consumer items, are provided as well within this invention.

  本文提供了一种Bisurea凝胶剂，它在各种凝胶配方中带来了许多意想不到的好处，并且在凝胶能力方面表现出极大的多样性，适用于许多类型的溶剂。这种凝胶剂应包括挂链基团，例如附加到聚氧烷基化物上的空间阻碍烷基基团，使凝胶剂在升高的温度下与目标液体系统兼容，同时在冷却周期中控制和/或限制网络形成和强度。结果是形成了可靠的坚硬凝胶，不易从溶液中崩解，不会在最终配方中出现不必要的开裂或沉淀。另外，为了提供相同的温度、兼容性和效率控制，还制备了具有两个脲基但配置不对称的新型凝胶剂。本发明还提供了最终的凝胶配方，例如止汗膏和其他类似的消费品。
• CATALYSTS FOR THE SYNTHESIS OF OXAZOLIDINONE COMPOUNDS
  申请人：Covestro Deutschland AG

  公开号：US20170088659A1

  公开（公告）日：2017-03-30

  The present invention relates to a method for the production of oxazolidinone compounds with low colour intensity, comprising the step of reacting an isocyanate compound with an epoxide compound in the presence of a catalyst which is free of halide anions. The invention further relates to a method for the production of oligooxazolidinone and/or polyoxazolidinone compounds, comprising the step of reacting a polyisocyanate compound with a polyepoxide compound in the presence of said catalyst. The invention further relates to oligooxazolidinone and/or polyoxazolidinone compounds with low colour intensity, obtainable by a method according to the invention.

  本发明涉及一种生产低颜色强度的噁唑烷酮化合物的方法，包括在无卤化物阴离子的催化剂存在下，将异氰酸酯化合物与环氧化合物反应的步骤。该发明还涉及一种生产寡噁唑烷酮和/或聚噁唑烷酮化合物的方法，包括在所述催化剂存在下，将聚异氰酸酯化合物与聚环氧化合物反应的步骤。该发明还涉及通过本发明方法获得的低颜色强度的寡噁唑烷酮和/或聚噁唑烷酮化合物。
• Beta2-adrenergic receptor agonists
  申请人：Moran J. Edmund

  公开号：US20070179179A1

  公开（公告）日：2007-08-02

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多重结合化合物，其为β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。
• Novel antibacterial agents
  申请人：Christensen Burton G.

  公开号：US20090111737A1

  公开（公告）日：2009-04-30

  This invention relates to novel multibinding compounds (agents) that are antibacterial agents. The multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands in their monovalent (i.e., unlinked) state have the ability to bind to a an enzyme involved in cell wall biosynthesis and metabolism, a precursor used in the synthesis of the bacterial cell wall and/or the bacterial cell surface thereby interfere with the synthesis and/or metabolism of the cell wall. In particular the multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands has a ligand domain capable of binding to penicillin binding proteins, a transpeptidase enzyme, a substrate of a transpeptidase enzyme, a beta-lactamase enzyme, pencillinase enzyme, cephalosporinase enzyme, a transglycoslase enzyme, or a transglycosylase enzyme substrate; Preferably, the ligands are selected from the beta lactam or glycopeptide class of antibacterial agents.

  本发明涉及一种新型多结合化合物（药剂），其为抗菌剂。本发明的多结合化合物包括2-10个配体，这些配体通过连接剂或连接剂共价连接，其中每个单价（即未连接）的配体具有结合细胞壁生物合成和代谢酶、合成细菌细胞壁和/或细菌细胞表面的前体的能力，从而干扰细胞壁的合成和/或代谢。特别是，本发明的多结合化合物包括2-10个配体，这些配体通过连接剂或连接剂共价连接，其中每个配体具有能够结合青霉素结合蛋白、横肽酶酶、横肽酶酶底物、β-内酰胺酶酶、青霉素酶酶、头孢菌素酶酶、横链酶酶或横链酶酶底物的配体结构域；最好选择β-内酰胺类或糖肽类抗菌剂作为配体。
• Trigger-Responsive Chain-Shattering Polymers
  申请人：THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS

  公开号：US20150141453A1

  公开（公告）日：2015-05-21

  Disclosed are polymers containing a backbone comprising alternating N-protected hydroxymethylaniline units (“spacer”) and linker units.

  本发明涉及一种聚合物，其骨架包含交替排列的N-保护羟甲基苯胺单元（“间隔”）和连接单元。