3-乙酰基苯磺酰氯 | 73035-16-2

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酰卤化物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-乙酰基苯磺酰氯
• 中文别名: 3-乙酰苯磺酰氯
• 英文名称: 3-acetylbenzenesulfonyl chloride
• 英文别名: 3-acetylbenzene-1-sulfonyl chloride
• CAS: 73035-16-2
• 化学式: C₈H₇ClO₃S
• mdl: MFCD03424979
• 分子量: 218.661
• InChiKey: CGMBNEIGZOCPPP-UHFFFAOYSA-N

物化性质

• 熔点：
  43-45°C
• 沸点：
  347.0±25.0 °C(Predicted)
• 密度：
  1.387±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 海关编码：
  2914700090
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  3-乙酰基苯磺酰氯 在 ammonium acetate 、 水 、 碘 、 potassium carbonate 、 formamide 、 三苯基膦 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 2.67h， 生成 4-(5-bromothiophen-2-yl)-6-(3-(ethylthio)phenyl)-2,2'-bipyridine
  参考文献：
  名称：

  Regioselective C–H Activation of Cyclometalated Bis-Tridentate Ruthenium Complexes

  摘要：

  A series of bis-tridentate Ru(II) complexes consisting of trimethyl-4,4',4"-tricarboxylate-2,2':6',2"-terpyridine (Me(3)tctpy) and derivatized 6-phenyl-2,2'-bipyridine (pbpy) ligands are reported. Each complex is attached to a terminal triphenylamine (TPA) substituent at the central ring of pbpy through a thiophene bridge to benefit light absorption, while the anionic ring of pbpy is fiinctionalized with substituents to modulate the metal-based redox potential. The cyclometalation step was found to favor the isomer where the electron-donating groups (EDGs; i.e., -OEt, -SEt) are situated ortho to the organometallic bond rather than the sterically favored para position, while the para isomer is formed in exclusivity when electron-withdrawing groups (e.g., -CF3,) are installed on the anionic ring. Moreover, the distribution of the isomeric products is affected by the identity of the chalcogen: ortho:para = 1:0 and 3:1 where EDG = -OEt and -SEt, respectively. Because our molecular scaffold rules out certain cyclometalation pathways (e.g., oxidative addition, agostic interactions, a-bond metathesis), we are able to experimentally establish that the observed regioselectivity is in accordance with an electrophilic metalation where the relative stabilities of the products and carbanionic intermediates govern the ratio of the isomers formed.

  DOI：

  10.1021/om200784j
• 作为产物：
  描述：

  间氨基苯乙酮 在 盐酸 、 sodium nitrite 、 二氧化硫 、 溶剂黄146 、 copper(l) chloride 作用下， 以 水 为溶剂， 反应 1.83h， 生成 3-乙酰基苯磺酰氯
  参考文献：
  名称：

  [EN] LOX ENZYME INHIBITING METHODS AND COMPOSITIONS
  [FR] PROCÉDÉS ET COMPOSITIONS D'INHIBITION DE L'ENZYME LOX

  摘要：

  这项发明涉及化合物、药物组合物及其用于治疗纤维化疾病、增殖性疾病、心血管疾病、急性和慢性炎症性疾病、原发性和转移性癌症、肺部疾病、眼部疾病或神经系统和神经精神疾病的用途。发明的一个特定方面涉及赖氨酸氧化酶酶家族的抑制剂及其作为治疗纤维化疾病的药物。

  公开号：

  WO2021216592A1

文献信息

• SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS
  申请人：Scott Ian L.

  公开号：US20100093865A1

  公开（公告）日：2010-04-15

  Provided are sulphur-linked compounds, pharmaceutical compositions thereof, and methods of treating ophthalmic diseases and disorders, such as age-related macular degeneration and Stargardt's Disease, using said compounds and compositions.

  提供的是硫连接化合物、其药物组合物以及使用所述化合物和组合物治疗眼科疾病和障碍的方法，例如年龄相关的黄斑变性和斯达加特病。
• [EN] CONDENSED HETEROCYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES CONDENSÉS AYANT UNE AFFINITÉ POUR LE RÉCEPTEUR 5-HT6
  申请人：MEMORY PHARM CORP

  公开号：WO2010021797A1

  公开（公告）日：2010-02-25

  The present disclosure provides compounds having affinity for the 5-HT6 receptor which are of the formula (I) wherein R1, A, B, D, E, G, Q, Ar, n, m, and p are as defined herein. The disclosure also relates to methods of preparing such compounds, compositions containing such compounds, and methods of use thereof.

  本公开提供了具有亲和力的化合物，其对5-HT6受体具有亲和力，其化学式为（I），其中R1、A、B、D、E、G、Q、Ar、n、m和p如本文所定义。该公开还涉及制备这种化合物的方法、含有这种化合物的组合物以及使用方法。
• [EN] 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY<br/>[FR] COMPOSÉS 4'-AMINO CYCLIQUES PRÉSENTANT UNE AFFINITÉ POUR LE RÉCEPTEUR 5-HT6
  申请人：MEMORY PHARM CORP

  公开号：WO2010024980A1

  公开（公告）日：2010-03-04

  The present disclosure provides compounds having affinity for the 5-HT6 receptor which are of the formula (I): formula (I) wherein Cy is selected from formula (Il) and wherein R1, R2, R3, Q, G, Ar, m, n and p are as defined herein. The disclosure also relates to methods of preparing such compounds, compositions containing such compounds, and methods of use thereof.

  本公开提供了具有对5-HT6受体亲和力的化合物，其化学式为（I）：化学式（I），其中Cy从化学式（II）中选择，R1、R2、R3、Q、G、Ar、m、n和p的定义如本文所述。该公开还涉及制备这种化合物的方法、含有这种化合物的组合物以及它们的使用方法。
• A Simple, Fast and Chemoselective Method for the Preparation of Arylthiols
  作者：Krishnacharya Akamanchi、Eknath Bellale、Mahesh Chaudhari

  DOI：10.1055/s-0029-1216955

  日期：2009.10

  An efficient and convenient method for the synthesis of arylthiols by reaction of sulfonyl chlorides with triphenylphosphine in toluene is reported.

  报道了一种通过磺酰氯与三苯基膦在甲苯中反应合成芳基硫醇的高效便捷方法。
• ORGANIC COMPOUNDS
  申请人：Breitenstein Werner

  公开号：US20090233920A1

  公开（公告）日：2009-09-17

  The invention relates to 3,5-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,5-substituted piperidine compound, and/or a method of treatment comprising administering a 3,5-substituted piperidine compound, a method for the manufacture of a 3,5-substituted piperidine compound, and novel intermediates and partial steps for its synthesis. The preferred compounds (which can also be present as salts) have the formula I wherein R1, R2, T, R3 and R4 are as defined in the specification.

  该发明涉及3,5-取代哌啶化合物，这些化合物用于诊断和治疗温血动物，特别是用于治疗依赖肾素活性的疾病（=紊乱）；该类化合物用于制备用于治疗依赖肾素活性疾病的药物配方；该类化合物用于治疗依赖肾素活性的疾病；包括3,5-取代哌啶化合物的药物配方，和/或包括给予3,5-取代哌啶化合物的治疗方法，一种用于制造3,5-取代哌啶化合物的方法，以及其合成的新中间体和部分步骤。优选的化合物（也可以存在为盐）具有式I的结构，其中R1、R2、T、R3和R4如规范中定义。