2,4-二氯苯乙基溴 | 108649-59-8

• 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: 2,4-二氯苯乙基溴
• 中文别名: 1-(2-溴乙基)-2,4-二氯苯
• 英文名称: 1-(2-bromoethyl)-2,4-dichlorobenzene
• 英文别名: 2,4-dichlorophenethyl bromide
• CAS: 108649-59-8
• 化学式: C₈H₇BrCl₂
• 分子量: 253.954
• InChiKey: BJTSTVKJPXWNIY-UHFFFAOYSA-N

物化性质

• 沸点：
  271.6±25.0 °C(Predicted)
• 密度：
  1.572 g/mL at 25 °C (lit.)
• 闪点：
  >230 °F

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险品标志：
  T
• 安全说明：
  S26
• 危险类别码：
  R25
• 海关编码：
  2903999090
• 危险品运输编号：
  UN 2810 6.1/PG 3
• 包装等级：
  III
• 危险类别：
  8,6.1
• 危险性防范说明：
  P280,P301+P310,P305+P351+P338
• 危险性描述：
  H301,H318,H413
• 储存条件：
  2-8℃

反应信息

• 作为反应物：
  描述：

  2,4-二氯苯乙基溴 在 potassium dihydrogenphosphate 、 sodium methylate 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.17h， 生成 Methyl 3-cyano-4-[2-(2,4-dichlorophenyl)ethylsulfanyl]-3-hydroxybutanoate
  参考文献：
  名称：

  ATP-Citrate Lyase as a Target for Hypolipidemic Intervention. Design and Synthesis of 2-Substituted Butanedioic Acids as Novel, Potent Inhibitors of the Enzyme

  摘要：

  ATP-citrate lyase is the primary enzyme responsible for the synthesis of cytosolic acetyl-CoA in many tissues. Inhibitors of the enzyme represent a potentially novel class of hypolipidemic agent, which are anticipated to have combined hypocholesterolemic and hypotriglyceridemic properties. A series of a-substituted butanedioic acids have been designed and synthesized as inhibitors of the enzyme, The best compounds, 58, 68, 71, 74 have reversible K-i's in the 1-3 mu M range against the isolated rat enzyme, As representative of this compound class, 58, has been shown to exert its inhibitory action through a mainly competitive mechanism with respect to citrate and a noncompetitive one with respect to CoA. None of the inhibitors were able to inhibit cholesterol and/or fatty acid synthesis in HepG2 cells. This has been attributed to the adverse physicochemical properties of the molecules leading to a lack of cell penetration. Despite this, a lead structural class of compound has been identified with the potential for modification into potent, cell-penetrant, and efficacious inhibitors of ATP-citrate lyase.

  DOI：

  10.1021/jm960167w
• 作为产物：
  描述：

  2,4-二氯苯乙醇 在 N-溴代丁二酰亚胺(NBS) 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 0.42h， 生成 2,4-二氯苯乙基溴
  参考文献：
  名称：

  ATP-Citrate Lyase as a Target for Hypolipidemic Intervention. Design and Synthesis of 2-Substituted Butanedioic Acids as Novel, Potent Inhibitors of the Enzyme

  摘要：

  ATP-citrate lyase is the primary enzyme responsible for the synthesis of cytosolic acetyl-CoA in many tissues. Inhibitors of the enzyme represent a potentially novel class of hypolipidemic agent, which are anticipated to have combined hypocholesterolemic and hypotriglyceridemic properties. A series of a-substituted butanedioic acids have been designed and synthesized as inhibitors of the enzyme, The best compounds, 58, 68, 71, 74 have reversible K-i's in the 1-3 mu M range against the isolated rat enzyme, As representative of this compound class, 58, has been shown to exert its inhibitory action through a mainly competitive mechanism with respect to citrate and a noncompetitive one with respect to CoA. None of the inhibitors were able to inhibit cholesterol and/or fatty acid synthesis in HepG2 cells. This has been attributed to the adverse physicochemical properties of the molecules leading to a lack of cell penetration. Despite this, a lead structural class of compound has been identified with the potential for modification into potent, cell-penetrant, and efficacious inhibitors of ATP-citrate lyase.

  DOI：

  10.1021/jm960167w

文献信息

• Pyridine derivatives and insecticide and miticide comprising said
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：US05262420A1

  公开（公告）日：1993-11-16

  A pyridine compound of the formula ##STR1## wherein X is a hydrogen atom, a halogen atom, an alkyl group having 1 to 4 carbon atoms, an alkoxyl group having 1 to 4 carbon atoms, a haloalkyl group having 1 to 4 carbon atoms or a haloalkoxyl group having 1 to 4 carbon atoms, n is 1 to 5, and when n is 2 or more, Xs may be identical to or different from each other, A is an alkyl residue or alkene residue in which a portion connecting the aryl group with the 4-position of the pyridyl group has 3 to 8 carbon atoms, or an alkapolyene residue in which said portion has 4 to 8 carbon atoms and 2 to 4 double bonds; the alkyl residue, alkene residue, and alkapolyene residue may have an alkyl side chain having 1 to 4 carbon atoms, an alkylidene side chain having 1 to 4 carbon atoms or 1 to 16 halogen atoms, and when there are 2 or more side chains, the side chains may be identical to or different from each other, and R.sup.1 and R.sup.2 are each a hydrogen atom or an alkyl group having 1 to 6 carbon atoms or salts thereof. The pyridine compounds and salts thereof exhibit a strong insecticidal and miticidal activity and are low in residuality and accumulativity and are thus useful as insecticides and miticides for the control of pests in agriculture and horticulture.

  一种杂环化合物，其分子式为##STR1##，其中X为氢原子、卤素原子、1至4个碳原子的烷基、1至4个碳原子的烷氧基、1至4个碳原子的卤代烷基或1至4个碳原子的卤代烷氧基；n为1至5，当n为2个或更多时，X可以相同也可以不同；A为连接芳基和吡啶基4位的部分含有3至8个碳原子的烷基残基或烯基残基，或含有4至8个碳原子和2至4个双键的烯丙基残基；烷基残基、烯基残基和烯丙基残基可以含有1至4个碳原子的烷基侧链、1至4个碳原子或1至16个卤素原子的亚烷基侧链，当存在2个或更多侧链时，侧链可以相同也可以不同；R1和R2各自为氢原子或含有1至6个碳原子的烷基，或其盐。这些杂环化合物及其盐类具有强烈的杀虫和杀螨活性，且残留性和积累性低，因此作为杀虫剂和杀螨剂用于农业和园艺中控制害虫非常有用。
• [EN] BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1)<br/>[FR] PYRIMIDINE-4-(3H)-ONES BICYCLIQUES, LEURS ANALOGUES ET DERIVES MODULANT LA FONCTION DU RECEPTEUR DE VANILLOIDE-1 (VR1)
  申请人：MERCK SHARP & DOHME

  公开号：WO2005049613A1

  公开（公告）日：2005-06-02

  Compounds of formula (I); which are useful as therapeutic compounds, particularly in the treatment of pain and other conditions ameliorated by the modulation of the function of the vanilloid-1 receptor (VR1).

  式(I)的化合物；这些化合物在治疗疼痛和其他通过调节辣椒素-1受体（VR1）功能而改善的症状方面特别有用。
• [EN] FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS<br/>[FR] DÉRIVÉS DE THIOPHÈNE ET DE THIAZOLE FUSIONNÉS UTILISÉS EN TANT QUE MODULATEURS GAMMA ROR
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2015101928A1

  公开（公告）日：2015-07-09

  The present invention provides fused thiophene and thiazole derivatives of formula (I), which may be therapeutically useful, more particularly as RORγ modulators; in which R1, R2, R3, R4, R5, R6, R7, X1, X2, L, m, n and ring A have the meanings given in the specification, and pharmaceutically acceptable salts thereof that are useful in the treatment and prevention of diseases or disorders, 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 thiophene and thiazole derivatives of formula (I), together with a pharmaceutically acceptable carrier, diluent or excipient therefor.

  本发明提供了公式（I）的融合噻吩和噻唑衍生物，可能在治疗上有用，更具体地作为RORγ调节剂；其中R1、R2、R3、R4、R5、R6、R7、X1、X2、L、m、n和环A的含义如规范中所述，并且其药学上可接受的盐在治疗和预防疾病或疾病中有用，特别是在调节RORγ受体方面具有优势的疾病或紊乱的使用。本发明还提供了化合物的制备以及包含至少一种公式（I）的融合噻吩和噻唑衍生物的药物配方，以及药学上可接受的载体、稀释剂或赋形剂。
• HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B
  申请人：SHULTZ Michael

  公开号：US20090247547A1

  公开（公告）日：2009-10-01

  The present teachings relate to compounds of Formula I: and pharmaceutically acceptable salts, hydrates, esters, and prodrugs thereof, wherein R 1 , R 2 , R 3 , Y, Z, and are as defined herein. The present teachings also provide methods of preparing compounds of Formula I and methods of using compounds of Formula I in treating, inhibiting, or preventing pathologic conditions or disorders mediated wholly or in part by deacetylases.

  目前的教导与化合物I的公式有关：及其药用盐、水合物、酯和前药，其中R1、R2、R3、Y、Z和如本文所定义的。目前的教导还提供了制备公式I化合物的方法以及使用公式I化合物治疗、抑制或预防完全或部分由去乙酰酶介导的病理状况或紊乱的方法。
• Direct C–N Coupling of Imidazoles with Aromatic and Benzylic Compounds via Electrooxidative C–H Functionalization
  作者：Tatsuya Morofuji、Akihiro Shimizu、Jun-ichi Yoshida

  DOI：10.1021/ja501093m

  日期：2014.3.26

  A method for the C-N coupling of imidazoles based on electrooxidative C-H functionalization of aromatic and benzylic compounds has been developed. The key to the success is the formation of protected imidazolium ions as initial products, avoiding overoxidation. Deprotection under nonoxidative conditions affords N-substituted imidazoles. Various functional groups are compatible with the present transformation

  已经开发了一种基于芳香族和苄类化合物的电氧化 CH 官能化的咪唑 CN 偶联方法。成功的关键是形成受保护的咪唑鎓离子作为初始产物，避免过度氧化。在非氧化条件下脱保护得到 N-取代的咪唑。各种官能团与本转化相容。为了证明该方法的功效，合成了 P450 17 抑制剂和具有 N-取代咪唑结构的抗真菌剂。