2-乙酰基苯甲酰氯 | 98588-64-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-乙酰基苯甲酰氯
• 中文别名: 邻乙酰基苯甲酰氯
• 英文名称: 2-acetyl-benzoyl chloride
• 英文别名: 2-Acetyl-benzoesaeure-chlorid；2-Acetyl-benzoylchlorid；o-Acetyl-benzoylchlorid；o-Acetylbenzoylchlorid；2-Acetylbenzoyl chloride
• CAS: 98588-64-8
• 化学式: C₉H₇ClO₂
• mdl: MFCD11617027
• 分子量: 182.606
• InChiKey: LFAHDEVKBSAKEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  2-乙酰基苯甲酰氯 在 氨 作用下， 生成 2-乙酰基苯甲酰胺
  参考文献：
  名称：

  Karslake; Huston, Journal of the American Chemical Society, 1909, vol. 31, p. 481

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(Hydroxymethyl)acetophenon 在 三氯异氰尿酸 作用下， 以 二氯甲烷 为溶剂， 反应 120.0h， 生成 2-乙酰基苯甲酰氯
  参考文献：
  名称：

  醇通过酰氯形成的无金属氧化交叉酯化反应

  摘要：

  使用三氯异氰尿酸作为氧化剂，可以实现一种新型的无金属的醇类氧化交叉​​酯化反应。将该醇原位转化为其相应的酰氯，然后使它们与伯和仲脂族，苄基和烯丙基醇和苯酚反应。以令人满意的产率获得了多种酯。

  DOI：

  10.1002/adsc.201500912

文献信息

• Reactions of carbonyl compounds in basic solutions. Part 13. The mechanism of the alkaline hydrolysis of 3-(3-substituted phenoxy)phthalides, -3-methyl-phthalides, -3-phenylphthalides, naphthalides, -3-phenylnaphthalides, and phenanthralides, and of 3-substituted 3-methoxyphthalides
  作者：Fredrick Anvia、Keith Bowden、Faiq A. El Kaissi、Victoria Saez

  DOI：10.1039/p29900001809

  日期：——

  effects of substitution on the phenoxy esters have been assessed by means of, the Hammett equation. The results for the methyl esters are related to the steric effect of substituents using the Taft equation. All the pseudo-esters are hydrolysed with rate-determining attack by hydroxide anion at the carbonyl group, followed by rapid ring fission to form the carboxylate anion of the corresponding acid as the

  已经测量了在30.0和50.0°C下对3-（3-取代苯氧基）邻苯二甲酸酯，-3-甲基邻苯二甲酸酯，-3-苯基邻苯二甲酸酯，萘二甲酸酯，-3-苯基萘二甲酸酯和邻苯二甲酰胺进行碱水解的速率系数，伪-2-酰基苯甲酸甲酯在70％（v / v）的二恶烷水溶液中处于多个温度下。已经评估了激活的焓和熵。已经通过哈米特方程评估了取代对苯氧基酯的影响。使用Taft方程，甲酯的结果与取代基的空间效应有关。所有的拟酯均被羰基上的氢氧根阴离子水解，以决定速率的方式进行水解，然后迅速发生环裂变，形成相应酸的羧酸根阴离子。在六个系列的苯基假酯的整个范围内都没有显示出反应性-选择性。根据过渡态的结构以及影响反应性的空间，立体化学和极性因素讨论了这些结果。
• A new approach to remote asymmetric induction in the diastereoselective reduction of γ-keto esters by use of a chiral podand as chiral auxiliary
  作者：Yasufumi Tamai、Shinji Koike、Atsuhiko Ogura、Sotaro Miyano

  DOI：10.1039/c39910000799

  日期：——

  An efficient 1,7-asymmetric induction was achieved with up to 82% diastereoisomeric excess (d.e.) in the diastereoselective reduction of the γ-keto ester 4 and o-acetylbenzoate 6 using the chiral podand 2 as chiral auxiliary.

  使用手性豆荚2作为手性助剂，可实现高达82％的非对映异构体过量（de）的高效1,7-不对称诱导，其中γ-酮酸酯4和邻乙酰基苯甲酸酯6的非对映选择性还原。
• Aminimides as Potential CNS Acting Agents. I. Design, Synthesis, and Receptor Binding of 4′-Aryl Aminimide Analogues of Clozapine as Prospective Novel Antipsychotics
  作者：Ben Capuano、Ian T. Crosby、Edward J. Lloyd、Juliette E. Neve、David A. Taylor

  DOI：10.1071/ch07197

  日期：——

  A series of substituted 1-[4-(8-chloro-5H-dibenzo[b,e][1,4]diazepin-11-yl)-1-methylhexahydropyrazin-1-ium]-1-aminimide derivatives were designed on the basis of the physicochemical properties of the aminimide functional group and synthesized as potential antipsychotic agents for the treatment of schizophrenia. The target compounds were readily prepared in two steps from clozapine (8-chloro-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine) and involved N-acylation of a common hydrazinium salt intermediate by an acyl chloride or activated ester in the presence of a strong base. The aminimides were tested for in vitro activity at the dopamine D4 and serotonin 5-HT2A receptors and were found to possess modest affinity for both receptor systems.

  根据氨基亚胺官能团的理化性质，设计并合成了一系列取代的 1-[4-(8-氯-5H-二苯并[b,e][1,4]二氮杂卓-11-基)-1-甲基六氢吡嗪-1-鎓]-1-氨基亚胺衍生物，作为治疗精神分裂症的潜在抗精神病药物。目标化合物很容易以氯氮平（8-氯-11-(4-甲基哌嗪基)-5H-二苯并[b,e][1,4]二氮杂卓）为原料，分两步制备，包括在强碱存在下用酰氯或活化酯对普通肼盐中间体进行 N-酰化。对这些氨基亚胺在多巴胺 D4 和血清素 5-HT2A 受体上的体外活性进行了测试，发现它们对这两种受体系统都具有适度的亲和力。
• COUPLING COMPOUNDS OF NSAID ANTI-INFLAMMATORY AND ANALGESIC DRUGS AND EGFR KINASE INHIBITORS, SYNTHESIS METHODS AND APPLICATIONS THEREOF
  申请人：Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

  公开号：US20160175453A1

  公开（公告）日：2016-06-23

  The present invention discloses coupling compounds of a structure as shown in Formula I, II or III formed by connecting NSAID anti-inflammatory and analgesic drugs and EGFR inhibitors by ester bonds or pharmaceutically acceptable salts or stereoisomers thereof or prodrug molecules thereof: where R is a NSAID anti-inflammatory and analgesic drug. In the present invention, the coupling compounds obtained by coupling NSAID anti-inflammatory and analgesic drugs with EGFR inhibitors have excellent therapeutic effects of tumors and provide new drugs for clinic treatment options.

  本发明揭示了一种结构如公式I、II或III所示的偶联化合物，通过酯键或药用可接受的盐或其立体异构体或其前药分子连接非甾体类抗炎镇痛药和EGFR抑制剂而形成：其中R为非甾体类抗炎镇痛药。在本发明中，通过将非甾体类抗炎镇痛药与EGFR抑制剂偶联而获得的偶联化合物具有出色的肿瘤治疗效果，并为临床治疗提供了新的药物选择。
• DRUG DELIVERY SYSTEM BASED ON REGIOSELECTIVELY AMIDATED HYALURONIC ACID
  申请人：Norbedo Stefano

  公开号：US20090253651A1

  公开（公告）日：2009-10-08

  New drug delivery systems (DDS) are described containing hyaluronic acid and a therapeutic agent, wherein the therapeutic agent is linked, directly or via a linker, to 6-aminohyaluronic acid and where the linkage of the drug or linker with 6-aminohyaluronic acid is realised by an amide bond. Preferred therapeutic agents for use in the present DDS are anti-inflammatory, antibiotic, antitumor drugs. Preferred linkers are: succinic acid, succinic acid linked to aminoacids, succinic acid linked to peptides. The DDS are stable and free of undesired reaction by-products and impurities, and show a high level of pharmacological efficacy.

  新的药物递送系统（DDS）是指含有透明质酸和治疗剂的药物递送系统，其中治疗剂通过直接或通过连接剂与6-氨基透明质酸相连，药物或连接剂与6-氨基透明质酸的连接是通过酰胺键实现的。本DDS中首选的治疗剂为抗炎、抗生素和抗肿瘤药物。首选的连接剂为琥珀酸、琥珀酸连接的氨基酸和琥珀酸连接的肽。DDS稳定，不含有害反应副产物和杂质，并显示出高水平的药理学疗效。