acetic-p-chlorobenzoic anhydride

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: acetic-p-chlorobenzoic anhydride
• 英文别名: Acetyl 4-chlorobenzoate
• 化学式: C₉H₇ClO₃
• 分子量: 198.606
• InChiKey: VHYDDTZEHVEGRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  22β-[(3-methyl-1-oxo-2-butenyl)oxy]-3β-hydroxyolean-12-en-28-oic acid 、 acetic-p-chlorobenzoic anhydride 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 3β-(4-chlorobenzoyloxy)-22β-senecioyloxy-olean-12-en-28-oic acid
  参考文献：
  名称：

  Synthesis of lantadene analogs with marked in vitro inhibition of lung adenocarcinoma and TNF-α induced nuclear factor-kappa B (NF-κB) activation

  摘要：

  The new series of pentacyclic triterpenoids reduced lantadene A (3), B (4), and 22β-hydroxy-3-oxo-olean-12-en-28-oic acid (5) analogs were synthesized and tested in vitro for their NF-κB and IKKβ inhibitory potencies and cytotoxicity against A549 lung cancer cells. The lead analog (11) showed sub-micromolar activity against TNF-α induced activation of NF-κB and exhibited inhibition of IKKβ in a single-digit micromolar dose. At the same time, 11 showed promising cytotoxicity against A549 lung cancer cells with IC50 of 0.98 μM. The Western blot analysis further showed that the suppression of NF-κB activity by the lead analog 11 was due to the inhibition of IκBα degradation, a natural inhibitor of NF-κB. The physicochemical evaluation demonstrated that the lead analog 11 was stable in the simulated gastric fluid of pH 2, while hydrolyzed at a relatively higher rate in the human blood plasma to release the active parent moieties. Molecular docking analysis showed that 11 was hydrogen bonded with the Arg-31 and Gln-110 residues of the IKKβ.

  DOI：

  10.1016/j.bmcl.2014.06.068
• 作为产物：
  描述：

  potassium acetate 、 4-氯苯甲酰氯 在 三乙烯二胺 作用下， 反应 0.1h， 以98%的产率得到acetic-p-chlorobenzoic anhydride
  参考文献：
  名称：

  在无溶剂条件下，在 1,4-二氮杂环 [2.2.2] 辛烷 (DABCO) 存在下，从氯化物中制备酯和酐的一种有效且简单的方法

  摘要：

  摘要报道了一种在无溶剂条件下从酰氯和羧酸的醇或钾盐合成脂肪族和芳香族酯和酸酐的可操作的一锅法和快速方法。该反应在 1,4-二氮杂双环 [2.2.2] 辛烷 (DABCO) 的存在下，在无溶剂条件下以优异的收率和较短的反应时间进行。

  DOI：

  10.1081/scc-120001504

文献信息

• Cellulose ester of aromatic carboxylic acid
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：EP1215216A1

  公开（公告）日：2002-06-19

  A cellulose ester of an aromatic carboxylic acid is disclosed. The aromatic carboxylic acid is substituted with a halogen atom, cyano, an alkyl group having 1 to 20 carbon atoms, an alkoxy group having 1 to 20 carbon atoms, an aryl group having 6 to 20 carbon atoms, an aryloxy group having 6 to 20 carbon atoms, an acyl group having 1 to 20 carbon atoms, a carbonamido group having 1 to 20 carbon atoms, a sulfonamido group having 1 to 20 carbon atoms and an ureido group having 1 to 20 carbon atoms. A cellulose ester of an aromatic carboxylic acid and an aliphatic carboxylic acid is also disclosed.

  本发明公开了一种芳香族羧酸纤维素酯。该芳香族羧酸被卤素原子、氰基、具有 1 至 20 个碳原子的烷基、具有 1 至 20 个碳原子的烷氧基、具有 6 至 20 个碳原子的芳基、具有 6 至 20 个碳原子的芳氧基、具有 1 至 20 个碳原子的酰基、具有 1 至 20 个碳原子的碳氨基、具有 1 至 20 个碳原子的磺氨基和具有 1 至 20 个碳原子的脲氨基取代。还公开了一种芳香族羧酸和脂肪族羧酸的纤维素酯。
• Anti-kazlauskas lipases
  申请人：Bosch Boris

  公开号：US20050153404A1

  公开（公告）日：2005-07-14

  The present invention relates to polypeptides which exert the biological activity of lipases and which have an anti-Kazlauskas-rule selectivity, to host cells containing nucleic acids coding for these polypeptides, to the nucleic acids themselves, and to the vectors required for preparing the host cells of the invention. In a further aspect, the invention relates to a method for preparing enantiomer-enriched esters and alcohols, which is advantageously carried out in the presence of a racemization catalyst.

  本发明涉及具有脂肪酶生物活性并具有抗卡兹劳斯卡斯规则选择性的多肽、含有编码这些多肽的核酸的宿主细胞、核酸本身以及制备本发明宿主细胞所需的载体。在另一方面，本发明涉及一种制备富含对映体的酯和醇的方法，该方法最好在消旋化催化剂存在下进行。
• Dubey; Kumar, R. Vinod, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999, vol. 38, # 1, p. 1 - 3
  作者：Dubey、Kumar, R. Vinod

  DOI：——

  日期：——
• Dubey; Vinod Kumar, Journal of the Indian Chemical Society, 2001, vol. 78, # 5, p. 265 - 266
  作者：Dubey、Vinod Kumar

  DOI：——

  日期：——
• US3932182A
  申请人：——

  公开号：US3932182A

  公开（公告）日：1976-01-13