2，5-二氯甲苯 | 19398-61-9

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类卤化物
• 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: 2，5-二氯甲苯
• 中文别名: 1,4-二氯-2-甲苯；2,5-二氯甲苯
• 英文名称: 2,5-dichlorotoluene
• 英文别名: 1,4-dichloro-2-methylbenzene；2,5-DCT
• CAS: 19398-61-9
• 化学式: C₇H₆Cl₂
• mdl: MFCD00000609
• 分子量: 161.031
• InChiKey: KFAKZJUYBOYVKA-UHFFFAOYSA-N

物化性质

• 熔点：
  4-5 °C (lit.)
• 沸点：
  197-200 °C (lit.)
• 密度：
  1.254 g/mL at 25 °C (lit.)
• 闪点：
  79 °C
• 保留指数：
  1100;1098;1132.2;1114
• 稳定性/保质期：
  在常温常压下稳定，但应避免接触氧化物。 该物质有毒，遇明火或高温会分解并释放出有毒气体。应避免吸入蒸气，并注意不要让其与眼睛或皮肤接触，以防刺激。

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• TSCA：
  Yes
• 危险等级：
  9
• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2903999090
• 危险品运输编号：
  UN3082
• 危险类别：
  9
• 包装等级：
  III
• 储存条件：
  常温下应密闭保存，避光且保持干燥通风的环境。

SDS

第一部分：化学品名称

制备方法与用途

制备方法：由邻氯甲苯催化氯化得到。

合成制备方法：同样是由邻氯甲苯催化氯化得到。

用途简介：主要用于溶剂和有机合成中间体。

用途：用于作为溶剂和有机合成中间体。

反应信息

• 作为反应物：
  描述：

  2，5-二氯甲苯 在 vanadyl pyrophosphate 、 氨 、 水 、 氧气 作用下， 生成 2,5-二氯苯甲腈
  参考文献：
  名称：

  Ammoxidation of 2,6-dichloro toluene—From first trials to pilot plant studies

  摘要：

  The scaling-up of the gas phase catalytic ammoxidation of 2 6-dichloro toluene (DCT) to 2 6-dichloro benzonitrile (DCBN) over a promoted vanadium phosphate (VPO) catalyst from first lab-scale experiments to pilot plant runs is reported First experiments in a row of conversions of isomeric dichloro toluenes using simple non-promoted VPO catalysts only show poor yield and selectivity In particular DCT ammoxidation is hindered due to bulky chlorine substituents probably preventing a sufficient interaction of the methyl group and lattice oxygen and/or N-containing surface species Improved synthesis of VPO catalyst with the addition of promoters and gamma-alumina or mania leads to significant increase in DCT conversion and DCBN yield A Cr containing vanadyl pyrophosphate catalyst admixed with Mania (anatase) showed conversion up to 97% with DCBN yields of ca 80% The same catalyst was also used for pilot plant runs usually in the form of 5 mm x 3 5 mm shaped tablets that were prepared from a larger batch of solid synthesis The scaling-up of the process using 100 ml of catalyst was investigated both by catalytic experiments and reactor simulations The results showed that the temperature control will be crucial in scaling-up Validation of simulation results with that of experimental results was also checked and a good agreement between measured and simulated results is observed (C) 2010 Elsevier B V All rights reserved

  DOI：

  10.1016/j.cattod.2010.01.037
• 作为产物：
  描述：

  2-氯甲苯 在 a K-L-type zeolite 氯 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 2.0h， 生成 2，5-二氯甲苯
  参考文献：
  名称：

  EP1508557

  摘要：

  公开号：

文献信息

• NOVEL INHIBITORS OF BETA-LACTAMASE
  申请人：Dininno Frank

  公开号：US20100279983A1

  公开（公告）日：2010-11-04

  This invention provides novel β-lactamase inhibitors of the aryl- and heteroarylsulfonamidomethylphosphonate monoester class having nitrogen-based cations or quarternary ammonium groups. The compounds inhibit three classes of β-lactamases and synergize the antibacterial effects of β-lactam antibiotics (e.g., imipenem and ceftazidime) against those micro-organisms normally resistant to the β-lactam antibiotics as a result of the presence of the β-lactamases. Formula (I) or pharmaceutically acceptable salt thereof.

  这项发明提供了一种新型的β-内酰胺酶抑制剂，属于芳基和杂芳基磺酰胺基甲基膦酸单酯类，具有基于氮的阳离子或季铵基团。这些化合物抑制三类β-内酰胺酶，并增强β-内酰胺类抗生素（如亚胺培南和头孢他啶）对那些通常对β-内酰胺类抗生素具有抗药性的微生物的抗菌效果，这是由于β-内酰胺酶的存在。公式（I）或其药学上可接受的盐。
• [EN] METHODS AND COMPOSITIONS FOR INHIBITION OF RAS<br/>[FR] MÉTHODES ET COMPOSITIONS PERMETTANT L'INHIBITION DE LA RAS
  申请人：ARAXES PHARMA LLC

  公开号：WO2016049568A1

  公开（公告）日：2016-03-31

  Inhibitors of Ras protein, methods to modulate the activity of Ras protein, and methods of treatment of disorders mediated by Ras protein are provided. A method for regulating activity of a K-Ras, H-Ras or N-Ras mutant protein with a compound is described. Disorders that can be treated include cancer, such as hematological cancer, pancreatic cancer, MYH associated polyposis, colorectal cancer, or lung cancer.

  提供了Ras蛋白的抑制剂，调节Ras蛋白活性的方法，以及通过Ras蛋白介导的疾病治疗方法。描述了一种使用化合物调节K-Ras、H-Ras或N-Ras突变蛋白活性的方法。可治疗的疾病包括癌症，如血液癌症、胰腺癌、MYH相关性息肉症、结直肠癌或肺癌。
• [EN] INHIBITORS OF KRAS G12C<br/>[FR] INHIBITEURS DE K-RAS G12C
  申请人：ARAXES PHARMA LLC

  公开号：WO2015054572A1

  公开（公告）日：2015-04-16

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have the following structure (I): or a pharmaceutically acceptable salt, tautomer, prodrug or stereoisomer thereof, wherein R1, R2a, R3a, R3b, R4a, R4b, G1, G2, L1, L2, m1, m2, A, B, W, X, Y, Z and E are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of G12C mutant KRAS protein for treatment of disorders, such as cancer, are also provided.

  提供了作为G12C突变KRAS蛋白抑制剂活性的化合物。这些化合物具有以下结构（I）：或其药用可接受的盐、互变异构体、前药或立体异构体，其中R1、R2a、R3a、R3b、R4a、R4b、G1、G2、L1、L2、m1、m2、A、B、W、X、Y、Z和E如本文所定义。还提供了与制备和使用这些化合物相关的方法，包括含有这些化合物的药物组合物以及调节G12C突变KRAS蛋白活性以治疗癌症等疾病的方法。
• [EN] COMBINATION THERAPY FOR PREVENTING ADDICTION<br/>[FR] POLYTHÉRAPIE POUR LA PRÉVENTION D'UNE ADDICTION
  申请人：AMYGDALA NEUROSCIENCES INC

  公开号：WO2019079209A1

  公开（公告）日：2019-04-25

  Disclosed is a novel combination therapy to reduce or prevent the acquisition of a conditioned response in a mammal comprising administering to the mammal a therapeutically effective amount of an aldehyde dehydrogenase (ALDH-2) inhibitor compound, such as a compound of Formula (I), in combination with a substance that produces the conditioned response, such as a medication containing a dopamine-producing agent such as an opioid, whereby the combination acts to reduce or prevent the acquisition of a conditioned response, and the deleterious side-effect of misuse, dependence, abuse, and/or addiction.

  揭示了一种新颖的联合疗法，用于减少或预防哺乳动物获得条件反射，包括向哺乳动物施用治疗有效量的醛脱氢酶（ALDH-2）抑制剂化合物，例如公式（I）中的化合物，与产生条件反射的物质结合，例如含有多巴胺生成剂的药物，如阿片类药物，从而使该组合作用于减少或预防条件反射的获得，以及滥用、依赖、滥用和/或成瘾的有害副作用。
• [EN] COMBINATION THERAPY FOR NICOTINE ADDICTION<br/>[FR] POLYTHÉRAPIE POUR LA DÉPENDANCE À LA NICOTINE
  申请人：AMYGDALA NEUROSCIENCES INC

  公开号：WO2020023792A1

  公开（公告）日：2020-01-30

  Disclosed is a combination therapy for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, comprising administering to said mammal an amount of an ALDH-2 inhibitor, such as a compound of Formula (I), in combination with an amount of the nicotinic acetylcholine receptor agonist, varenicline. The disclosure further relates to methods and pharmaceutical compositions useful with the combination therapy.

  揭示了一种用于减少哺乳动物尼古丁成瘾或帮助戒烟或减少烟草使用的联合疗法，包括向该哺乳动物施用一定量的ALDH-2抑制剂，如式（I）化合物，与一定量的尼古丁乙酰胆碱受体激动剂维拉尼克林相结合。该公开还涉及与该联合疗法有用的方法和药物组合。

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