26-二甲基-4-氯苯硼酸 | 1027045-31-3

• 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: 26-二甲基-4-氯苯硼酸
• 中文别名: 2,6-二甲基-4-氯苯基硼酸
• 英文名称: 4-chloro-2,6-dimethylphenylboronic acid
• 英文别名: 4-chloro-2,6-dimethylbenzene boronic acid；(4-Chloro-2,6-dimethylphenyl)boronic acid
• CAS: 1027045-31-3
• 化学式: C₈H₁₀BClO₂
• mdl: MFCD10566594
• 分子量: 184.43
• InChiKey: FVASMUNXBUYNIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.09
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  26-二甲基-4-氯苯硼酸 、 N-甲基-3-溴苯甲酰胺 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 乙醇 、 甲苯 、 水 为溶剂， 反应 9.33h， 生成 N-methyl-3-(4'-chloro-2',6'-dimethylphenyl)benzamide
  参考文献：
  名称：

  [EN] BIPHENYL DERIVATIVE OR ITS SALT, AND PESTICIDE CONTAINING IT AS AN ACTIVE INGREDIENT
  [FR] DERIVE DE DIPHENYLE OU SES SELS, ET PESTICIDE DONT IL CONSTITUE LE PRINCIPE ACTIF

  摘要：

  一种对感染植物病害的作物植物具有稳定高效杀虫效果的杀虫剂被提出。该杀虫剂含有作为活性成分的二苯基衍生物，该衍生物由公式(I)表示或其盐类：其中X、Y和Z各自独立为卤素原子、羟基、甲酰基、可能被取代的烷基、可能被取代的烷氧基、烷硫基、烷基亚磺酰基、烷基亚磺酰基或类似基团，A为羰基、硫羰基、亚烷基或单键，R1和R2各自独立为氢原子、可能被取代的烷基、可能被取代的烯基、可能被取代的炔基、可能被取代的芳基、甲酰基、烷基羰基、氰基或类似基团，而m和n各自独立为0、1、2、3或4。

  公开号：

  WO2005044007A1

文献信息

• Process for Preparing Aryl- and Heteroarylacetic Acid Derivatives
  申请人：HIMMLER Thomas

  公开号：US20110184180A1

  公开（公告）日：2011-07-28

  The present invention relates to a novel process for preparing α-arylmethylcarbonyl compound of the formula (III), characterized in that aryl- and heteroarylacetic acids and derivatives thereof of the formula (I) are reacted with α-halomethylcarbonyl compounds of the formula (II) in the presence of a palladium catalyst, of a phosphine ligand, of an inorganic base and of a phase transfer catalyst, optionally using an organic solvent.

  本发明涉及一种新型制备式（III）的α-芳基甲基羰基化合物的方法，其特征在于，在钯催化剂，膦配体，无机碱和相转移催化剂的存在下，芳基和杂环芳基乙酸及其衍生物式（I）与α-卤代甲基羰基化合物式（II）反应，可选用有机溶剂。
• Process for preparing aryl- and heteroarylacetic acid derivatives
  申请人：Himmler Thomas

  公开号：US08507688B2

  公开（公告）日：2013-08-13

  The present invention relates to a process for preparing α-arylmethylcarbonyl compound of the formula (III), characterized in that aryl- and heteroarylacetic acids and derivatives thereof of the formula (I) are reacted with α-halomethylcarbonyl compounds of the formula (II) in the presence of a palladium catalyst, of a phosphine ligand, of an inorganic base and of a phase transfer catalyst, optionally using an organic solvent.

  本发明涉及一种制备式（III）α-芳基甲基羰基化合物的方法，其特征在于，在钯催化剂、膦配体、无机碱和相转移催化剂的存在下，将式（I）的芳基和杂环芳基乙酸及其衍生物与式（II）的α-卤代甲基羰基化合物反应，可选地使用有机溶剂。
• PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20160185752A1

  公开（公告）日：2016-06-30

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof (Formula (I)) in which m, X, R 1 , R 2 , R 3 and R 5 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供公式(I)的化合物及其药学上可接受的盐（公式(I)），其中m、X、R1、R2、R3和R5如规范中所定义，其制备过程、包含它们的制药组合物以及它们在治疗中的应用。
• Palladium-Catalyzed Cross-Coupling of Sterically Demanding Boronic Acids with α-Bromocarbonyl Compounds
  作者：Bettina Zimmermann、Wojciech I. Dzik、Thomas Himmler、Lukas J. Goossen

  DOI：10.1021/jo2014998

  日期：2011.10.7

  A catalyst system generated in situ from Pd(dba)(2) and tri(o-toly)phosphine mediates the coupling of arylboronic acids with alkyl alpha-bromoacetates under formation of arylacetic acid esters at unprecedented low loadings. The new protocol, which involves potassium fluoride as the base and catalytic amounts of benzyltriethylammonium bromide as a phase transfer catalyst, is uniquely effective for the synthesis of sterically demanding arylacetic acid derivatives.
• [EN] BIPHENYL DERIVATIVE OR ITS SALT, AND PESTICIDE CONTAINING IT AS AN ACTIVE INGREDIENT<br/>[FR] DERIVE DE DIPHENYLE OU SES SELS, ET PESTICIDE DONT IL CONSTITUE LE PRINCIPE ACTIF
  申请人：ISHIHARA SANGYO KAISHA

  公开号：WO2005044007A1

  公开（公告）日：2005-05-19

  A pesticide having stabilized high pesticidal effects for crop plants infected with plant diseases, is presented. The pesticide contains a biphenyl derivative represented by the formula (I) or its salt, as an active ingredient: wherein X, Y and Z are each independently a halogen atom, a hydroxyl group, a formyl group, an alkyl group which may be substituted, an alkoxy group which may be substituted, an alkylthio group, an alkylsulfonyl group, an alkylsulfinyl group, or the like, A is a carbonyl group, a thiocarbonyl group, an alkylene group, or a single bond, R1 and R2 are each independently a hydrogen atom, an alkyl group which may be substituted, an alkenyl group which may be substituted, an alkynyl group which may be substituted, an aryl group which may be substituted, a formyl group, an alkylcarbonyl group, a cyano group, or the like, and m and n are each independently 0, 1, 2, 3 or 4.

  一种对感染植物病害的作物植物具有稳定高效杀虫效果的杀虫剂被提出。该杀虫剂含有作为活性成分的二苯基衍生物，该衍生物由公式(I)表示或其盐类：其中X、Y和Z各自独立为卤素原子、羟基、甲酰基、可能被取代的烷基、可能被取代的烷氧基、烷硫基、烷基亚磺酰基、烷基亚磺酰基或类似基团，A为羰基、硫羰基、亚烷基或单键，R1和R2各自独立为氢原子、可能被取代的烷基、可能被取代的烯基、可能被取代的炔基、可能被取代的芳基、甲酰基、烷基羰基、氰基或类似基团，而m和n各自独立为0、1、2、3或4。