2,6-二氯苯磺酸 | 6697-96-7

• 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: 2,6-二氯苯磺酸
• 中文别名: 2,6-二氯-苯磺酸
• 英文名称: o-dichlorobenzenesulfonic acid
• 英文别名: 2,5-Dichlorbenzolsulfonsaeure；2,6-dichlorobenzenesulfonic Acid
• CAS: 6697-96-7
• 化学式: C₆H₄Cl₂O₃S
• 分子量: 227.068
• InChiKey: CVJVWHJVNYJTKA-UHFFFAOYSA-N

物化性质

• 密度：
  1.668

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2904909090

反应信息

• 作为反应物：
  描述：

  2,6-二氯苯磺酸 在 platinum on activated charcoal 氢氧化钾 、 硫酸 、 水 、 氢气 、 硝酸 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3-[3-([1,4']Bipiperidinyl-1'-sulfonyl)-4-chloro-2-hydroxy-phenylamino]-4-chloro-cyclobut-3-ene-1,2-dione
  参考文献：
  名称：

  Comparison of N,N′-diarylsquaramides and N,N′-diarylureas as antagonists of the CXCR2 chemokine receptor

  摘要：

  N,N'-diarylsquaramides were prepared and evaluated as antagonists of CXCR2. The compounds were found to be potent and selective antagonists of CXCR2. Significant differences in SAR was observed relative to the previously described N,N'-diarylurea series. As was the case in the N,N'-diarylurea series, placing sulfonamide substituent adjacent to the acidic phenol significantly reduced the clearance in rat pharmacokinetic studies. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.067
• 作为产物：
  描述：

  2,6-二氯苯磺酰氯 在 lithium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2,6-二氯苯磺酸
  参考文献：
  名称：

  Comparison of N,N′-diarylsquaramides and N,N′-diarylureas as antagonists of the CXCR2 chemokine receptor

  摘要：

  N,N'-diarylsquaramides were prepared and evaluated as antagonists of CXCR2. The compounds were found to be potent and selective antagonists of CXCR2. Significant differences in SAR was observed relative to the previously described N,N'-diarylurea series. As was the case in the N,N'-diarylurea series, placing sulfonamide substituent adjacent to the acidic phenol significantly reduced the clearance in rat pharmacokinetic studies. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.067

文献信息

• PROCESS FOR PRODUCING AMINOALKYLSULFONIC ACID AND METHOD OF SALT EXCHANGE FOR SALT THEREOF
  申请人：Wako Pure Chemical Industries, Ltd.

  公开号：EP1548002A1

  公开（公告）日：2005-06-29

  The present invention relates to a method for efficiently producing an aminoalkylsulfonic acid in an industrial scale, and provides    "a process for producing an aminoalkylsulfonic acid represented by the general formula [2]:    wherein R1 and R2 are each independently a hydrogen atom, an alkyl group, an aryl group or an aralkyl group; and R3 and R4 are each independently a hydrogen atom or an alkyl group, comprising reacting an aminoalkylsulfonate salt represented by the general formula [1]:    wherein M is an alkali metal atom, an organic ammonium ion or an ammonium ion; and R1 to R4 are the same as described above,    an aqueous solution thereof, or a solution dissolving any one of them in a water-soluble organic solvent, selected from alcohols having 1 to 3 carbon atoms, carboxylic acids having 2 to 12 carbon atoms and dimethylformamide, with an organic acid; and    a method of salt exchange for an aminoalkylsulfonate salt represented by the general formula [1']:    wherein M' is an alkali metal atom, an organic ammonium ion or an ammonium ion; and R1 and R4 are the same as described above, comprising reacting an aminoalkylsulfonate salt represented by the above general formula [2] with a hydroxide represented by the general formula [6]:         M'OH     [6]    wherein M' is the same as described above, in an alcohol or water".

  本发明涉及一种在工业规模上高效生产氨基磺酸的方法，并提供“一种生产由通式[2]表示的氨基磺酸的方法：其中R1和R2分别是氢原子、烷基、芳基或芳基烷基；R3和R4分别是氢原子或烷基的氨基磺酸盐发生反应所得的方法，通式[1]表示如下：其中M是碱金属原子、有机铵离子或铵离子；R1至R4与上述相同，其水溶液或将任何一种溶解于水溶性有机溶剂中的溶液，所选的有1至3个碳原子的醇、有2至12个碳原子的羧酸和二甲基甲酰胺，与有机酸反应；以及氨基磺酸盐交换的方法，通式[1']表示如下：其中M'是碱金属原子、有机铵离子或铵离子；R1和R4与上述相同，包括将上述通式[2]表示的氨基磺酸盐与通式[6]表示的氢氧化物发生反应：M'OH [6]其中M'与上述相同，在醇或水中”。
• PROCESS FOR PRODUCING ESTER COMPOUND
  申请人：Imazeki Shigeaki

  公开号：US20100324314A1

  公开（公告）日：2010-12-23

  PROBLEM To provide an environmentally-friendly method for producing industrially an ester compound. SOLUTION The present invention is a method for producing an ester compound which comprises subjecting a carboxylic acid and an alcohol to dehydration-condensation reaction using an involatile acid catalyst and then removing the residual acid catalyst by bringing a weak basic substance into contact with the residual acid catalyst.

  问题提供一种生产工业酯化合物的环保方法。 解决方案是一种生产酯化合物的方法，包括将羧酸和醇经过脱水缩合反应，使用一种不挥发的酸催化剂，然后通过将弱碱性物质与残留的酸催化剂接触来去除残留的酸催化剂。
• Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors
  申请人：NEMECEK Conception

  公开号：US20080194555A1

  公开（公告）日：2008-08-14

  This invention relates to benzimidazole and benzothiazole compounds of formula (I) to methods of preparing such compounds, pharmaceutical compositions comprising such compounds, and to methods of treatment comprising administering of such compounds.

  本发明涉及公式（I）的苯并咪唑和苯并噻唑化合物的制备方法，包括这些化合物的制药组合物，以及包括这些化合物的治疗方法的管理方法。
• [EN] SYNTHETIC PROCESS FOR TRANS-AMINOCYCLOHEXYL ETHER COMPOUNDS<br/>[FR] METHODE DE SYNTHESE POUR COMPOSES DE TRANS-AMINOCYCLOHEXYL ETHER
  申请人：CARDIOME PHARMA CORP

  公开号：WO2005016242A2

  公开（公告）日：2005-02-24

  This invention is directed to methods of stereoselectively preparing, from appropriately substituted starting materials and reagents, an aminocyclohexyl ether of the formula (57) or the formula (75): where R1, R2, R3, R4 and R5 are defined herein. The compounds of formula (57) and formula (75) are useful in treating medical conditions or disorders, including, for example, cardica arrhythmias such as atrial arrhythmia and ventricular arrhythmia.

  本发明涉及一种立体选择性制备公式（57）或公式（75）的氨基环己基醚的方法，所述方法从适当的取代起始材料和试剂出发。其中R1、R2、R3、R4和R5在此定义。公式（57）和公式（75）的化合物在治疗医疗状况或疾病方面具有用途，包括例如心脏心律失常如房性心律失常和室性心律失常。
• Synthetic process for trans-aminocyclohexyl ether compounds
  申请人：Barrett G. M. Anthony

  公开号：US20050038256A1

  公开（公告）日：2005-02-17

  A method of stereoselectively making an aminocyclohexyl ether comprises, for example, reacting to form the aminocyclohexyl ether having the formula respectively, wherein independently at each occurrence, R 1 and R 2 are independently hydrogen, C 1 -C 8 alkyl, C 3 -C 8 alkoxyalkyl, C 1 -C 8 hydroxyalkyl, or C 7 -C 12 aralkyl; or R 1 and R 2 are independently C 3 -C 8 alkoxyalkyl, C 1 -C 8 hydroxyalkyl, and C 7 -C 12 aralkyl; or R 1 and R 2 , when taken together with the nitrogen atom to which they are directly attached in formula (57) or (75), form a ring denoted by formula (I): wherein the ring of formula (I) is formed from the nitrogen as shown as well as three to nine additional ring atoms independently carbon, nitrogen, oxygen, or sulfur; where any two adjacent ring atoms may be joined together by single or double bonds, and where any one or more of the additional carbon ring atoms may be substituted with one or two substituents selected from the group consisting of hydrogen, hydroxy, C 1 -C 3 hydroxyalkyl, oxo, C 2 -C 4 acyl, C 1 -C 3 alkyl, C 2 -C 4 alkylcarboxy, C 1 -C 3 alkoxy, and C 1 -C 20 alkanoyloxy, or may be substituted to form a spiro five- or six-membered heterocyclic ring containing one or two oxygen and/or sulfur heteroatoms; or any two adjacent additional carbon ring atoms may be fused to a C 3 -C 8 carbocyclic ring, and any one or more of the additional nitrogen ring atoms may be substituted with substituents selected from the group consisting of hydrogen, C 1 -C 6 alkyl, C 2 -C 4 acyl, C 2 -C 4 hydroxyalkyl and C 3 -C 8 alkoxyalkyl; or R 1 and R 2 , when taken together with the nitrogen atom to which they are directly attached in formula (I), may form a bicyclic ring system selected from the group consisting of 3-azabicyclo[3.2.2]nonan-3-yl, 2-azabicyclo[2.2.2]octan-2-yl, 3-azabicyclo[3.1.0]hexan-3-yl, and 3-azabicyclo[3.2.0]heptan-3-yl; and wherein R 3 , R 4 and R 5 are independently bromine, chlorine, fluorine, carboxy, hydrogen, hydroxy, hydroxymethyl, methanesulfonamido, nitro, cyano, sulfamyl, trifluoromethyl, C 2 -C 7 alkanoyloxy, C 1 -C 6 alkyl, C 1 -C 6 alkoxy, C 2 -C 7 alkoxycarbonyl, C 1 -C 6 thioalkyl, aryl or N(R 6 ,R 7 ) where R 6 and R 7 are independently hydrogen, acetyl, methanesulfonyl or C 1 -C 6 alkyl; or R 3 , R 4 and R 5 are independently hydrogen, hydroxy or C 1 -C 6 alkoxy; with the proviso that R 3 , R 4 and R 5 cannot all be hydrogen; and wherein O-J is a leaving group. Methods of making intermediates are also disclosed.

  一种立体选择性制备氨基环己醚的方法，例如，反应生成具有以下式子的氨基环己醚，其中在每个出现的位置上，独立的R1和R2分别为氢、C1-C8烷基、C3-C8烷氧基烷基、C1-C8羟基烷基或C7-C12芳基烷基；或者独立的R1和R2为C3-C8烷氧基烷基、C1-C8羟基烷基和C7-C12芳基烷基；或者R1和R2与它们直接连接的氮原子一起形成由以下式子表示的环：其中式子（I）的环由氮原子形成，以及三到九个独立的环原子，包括碳、氮、氧或硫；任意相邻的两个环原子可以通过单键或双键连接在一起，任何一个或多个额外的碳环原子可以被氢、羟基、C1-C3羟基烷基、氧代、C2-C4酰基、C1-C3烷基、C2-C4烷基羧基、C1-C3烷氧基或C1-C20烷酰氧基中的一个或两个取代，或者被取代以形成一个螺五元或六元杂环环，其中包含一个或两个氧和/或硫杂原子；任意相邻的两个额外碳环原子可以融合到一个C3-C8碳环中，任何一个或多个额外的氮环原子可以被氢、C1-C6烷基、C2-C4酰基、C2-C4羟基烷基和C3-C8烷氧基烷基中的一个或多个取代；或者R1和R2与它们直接连接的氮原子一起形成从以下组中选择的双环系统：3-氮杂双环[3.2.2]壬烷-3-基、2-氮杂双环[2.2.2]辛烷-2-基、3-氮杂双环[3.1.0]己烷-3-基和3-氮杂双环[3.2.0]庚烷-3-基；其中R3、R4和R5独立地为溴、氯、氟、羧基、氢、羟基、羟甲基、甲磺酰胺基、硝基、氰基、磺酰胺基、三氟甲基、C2-C7烷酰氧基、C1-C6烷基、C1-C6烷氧基、C2-C7烷氧羰基、C1-C6硫代烷基、芳基或N（R6，R7），其中R6和R7独立地为氢、乙酰、甲磺酰或C1-C6烷基；或者R3、R4和R5独立地为氢、羟基或C1-C6烷氧基；但是R3、R4和R5不能都为氢；O-J是一个离去基团。还公开了制备中间体的方法。