2,4,5-三甲氧基苯甲酰氯 | 42833-66-9

• 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: 2,4,5-三甲氧基苯甲酰氯
• 英文名称: 2,4,5-trimethoxybenzoyl chloride
• 英文别名: 2,4,5-trimethoxybenzoic acid chloride
• CAS: 42833-66-9
• 化学式: C₁₀H₁₁ClO₄
• 分子量: 230.648
• InChiKey: JEPXZNXBEFYVOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  346.9±37.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  2,4,5-三甲氧基苯甲酰氯 在 溴 、 溶剂黄146 、 thallium(III) nitrate 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 α-cyclopentyl-α-<1,4,5,6,8-pentamethoxy-3-(phenylethynyl)-2-naphthyl>methanol
  参考文献：
  名称：

  Clive, Derrick L. J.; Khodabocus, Ahmad; Vernon, Peter G., Journal of the Chemical Society. Perkin transactions I, 1991, # 6, p. 1433 - 1444

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4,5-三甲氧基苯甲酸 在 草酰氯 作用下， 生成 2,4,5-三甲氧基苯甲酰氯
  参考文献：
  名称：

  用于铃木-宫浦交叉偶联反应的 3-芳基-1-膦基咪唑并[1,5-a]吡啶配体的合成。

  摘要：

  3-芳基-1-膦基咪唑并[1,5-a]吡啶配体以2-氨基甲基吡啶为初始底物，通过两条互补路线合成。第一个合成途径经历了 2-氨基甲基吡啶与取代的苯甲酰氯的偶联，然后进行环化、碘化和钯催化的交叉偶联次膦化反应序列，得到我们的磷配体。在第二条路线中，2-氨基甲基吡啶用芳基醛环化，然后进行碘化和钯催化的交叉偶联次膦化反应，得到我们的磷配体。在钯催化的空间位阻联芳基和杂联芳基 Suzuki-Miyaura 交叉偶联反应中评估了 3-芳基-1-膦基咪唑并[1,5-a]吡啶配体。

  DOI：

  10.1039/d1ra05417a

文献信息

• Antibacterial agents
  申请人：Warner-Lambertt Company

  公开号：US06057315A1

  公开（公告）日：2000-05-02

  Described are antibacterial agents of formula (I): X is O, S or N--R.sub.8 ; R.sub.1, R.sub.2, R.sub.3 and R.sub.8 are independently H, straight or branched alkyl of 1-6 carbons, cycloalkyl of 3-6 carbons, alkenyl or alkynyl of from 2 to 6 atoms, R heterocyclic ring of from 5-8 atoms with 1-3 heteroatoms as nitrogen, oxygen or sulfur, or phenyl, all of which rings may be optionally substituted up to 3 times by halogen, OR, NR.sub.2, NR'COR', CN, CO.sub.2 R' or CONR.sub.2 ', halogen, CN, CO.sub.2 R, COR, CON(R).sub.2, CON(R").sub.2, SR, SON, SCO.sub.2 R or SCON(R).sub.2 ; R.sub.4 is H, straight or branched alkyl of from 1-6 carbon atoms, alkenyl or alkynyl of from 2 to 6 atoms, heterocyclic ring of from 5-8 atoms with 1-3 heteroatoms as nitrogen, oxygen or sulfur or phenyl, all of which rings may be optionally substituted up to 3 times by halogen, OR, NR.sub.2, NR'COR', CN, CO.sub.2 R' or CONR.sub.2 ', halogen, CN, NO.sub.2, N(R).sub.2, NRCOR, NRCOR", COR, CO.sub.2 R, CON(R).sub.2, CON(R").sub.2, NRCON(R).sub.2, NRCO.sub.2 R; R.sub.5 is 1-6 straight or branched alkyl, a cycloalkyl of 3-6 carbons, alkenyl or alkynyl of from 2 to 6 atoms, heterocyclic ring of from 5-8 atoms with 1-3 heteroatoms as nitrogen, oxygen or sulfur or phenyl, all of which rings may be optionally substituted up to 3 times by halogen, OR, NR.sub.2, NR'COR', CN, CO.sub.2 R' or CONR.sub.2 ', halogen, OR, N(R).sub.2, NRCOR, NRCOR", COR, CON(R).sub.2, CON(R").sub.2, SR or SO.sub.2 R; R.sub.6, R.sub.7 are independently H, straight or branched alkyl of 1-6 carbons, cycloalkyl of 3-6 carbons, COR, COR", SO.sub.2 NR.sub.2, CONR.sub.2 and these may be optionally substituted by any of the groups listed for R.sub.5 ; R is H, straight or branched alkyl of 1-6 carbon atoms, cycloalkyl of from 3-6 carbon atoms, heterocyclic ring of from 5-8 atoms with 1-3 heteroatoms as nitrogen, oxygen or sulfur, or pheny, all of which may be optionally substituted by halogen, OR', NR'.sub.2, NR'COR', CN, CO.sub.2 R', CONR'.sub.2, R' is H, alkyl of from 1-3 carbon atoms or Ph; R" is part of a naturally occurring amino acid connected via an amide or acyl bond as determined by the formula; halogen is any one of fluoro, chloro, bromo or iodo; or a pharmaceutically acceptable salt.

  描述了化学式（I）的抗菌剂：X为O、S或N-R.sub.8；R.sub.1、R.sub.2、R.sub.3和R.sub.8独立地为H、1-6碳原子的直链或支链烷基、3-6碳原子的环烷基、2-6个原子的烯基或炔基、含有1-3个氮、氧或硫杂原子的5-8个原子的R杂环或苯基，所有这些环可以选择性地被卤素、OR、NR.sub.2、NR'COR'、CN、CO.sub.2 R'或CONR.sub.2'、卤素、CN、CO.sub.2 R、COR、CON(R).sub.2、CON(R").sub.2、SR、SON、SCO.sub.2 R或SCON(R).sub.2取代最多3次；R.sub.4为H、1-6碳原子的直链或支链烷基、2-6个原子的烯基或炔基、含有1-3个氮、氧或硫杂原子的5-8个原子的杂环或苯基，所有这些环可以选择性地被卤素、OR、NR.sub.2、NR'COR'、CN、CO.sub.2 R'或CONR.sub.2'、卤素、CN、NO.sub.2、N(R).sub.2、NRCOR、NRCOR"、COR、CO.sub.2 R、CON(R).sub.2、CON(R").sub.2、NRCON(R).sub.2、NRCO.sub.2 R取代最多3次；R.sub.5为1-6个直链或支链烷基、3-6碳原子的环烷基、2-6个原子的烯基或炔基、含有1-3个氮、氧或硫杂原子的5-8个原子的杂环或苯基，所有这些环可以选择性地被卤素、OR、NR.sub.2、NR'COR'、CN、CO.sub.2 R'或CONR.sub.2'、卤素、OR、N(R).sub.2、NRCOR、NRCOR"、COR、CON(R).sub.2、CON(R").sub.2、SR或SO.sub.2 R取代最多3次；R.sub.6、R.sub.7独立地为H、1-6碳原子的直链或支链烷基、3-6碳原子的环烷基、COR、COR"、SO.sub.2 NR.sub.2、CONR.sub.2，这些基团可以选择性地被R.sub.5列出的任何基团取代；R为H、1-6碳原子的直链或支链烷基、3-6碳原子的环烷基、含有1-3个氮、氧或硫杂原子的5-8个原子的杂环或苯基，所有这些基团可以选择性地被卤素、OR'、NR'.sub.2、NR'COR'、CN、CO.sub.2 R'、CONR'.sub.2取代，R'为H、1-3碳原子的烷基或苯基；R"是通过酰胺或酰基键连接的天然氨基酸的一部分，由公式确定；卤素是氟、氯、溴或碘中的任何一种；或者是药用可接受的盐。
• Substituted 4-(1H-benzimidazol-2-yl-amino)piperidines useful for the treatment of allergic diseases
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US06211199B1

  公开（公告）日：2001-04-03

  The present invention relates to novel substituted piperidine derivatives of formula (1), stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonist. Such antagonists are useful in the treatment of allergic rhinitis, including seasonal rhinitis and sinusitis; inflammatory bowel diseases, including Crohn's disease and ulcerative colitis; asthma; bronchitis; and emesis.

  本发明涉及一种新型的取代哌啶衍生物，其化学式为（1），其立体异构体以及药学上可接受的盐，这些衍生物可用作组胺受体拮抗剂和速激肽受体拮抗剂。这些拮抗剂在过敏性鼻炎的治疗中很有用，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。
• First identification of xanthone sulfonamides as potent acyl-CoA:cholesterol acyltransferase (ACAT) inhibitors
  作者：Honggang Hu、Hongli Liao、Jun Zhang、Weifeng Wu、Jufang Yan、Yonghong Yan、Qingjie Zhao、Yan Zou、Xiaoyun Chai、Shichong Yu、Qiuye Wu

  DOI：10.1016/j.bmcl.2010.03.101

  日期：2010.5

  Inhibitors of acyl-CoA:cholesterol acyltransferase (ACAT) would be useful anti-atherogenic agents, since an absence of ACAT affects the absorption and transformation of cholesterol, indirectly resulting in the reduction of cholesteryl ester accumulation in blood vessels. This report discloses xanthone sulfonamides as novel class small molecule inhibitors of ACAT. A series of xanthone sulfonamides were

  酰基辅酶A：胆固醇酰基转移酶（ACAT）的抑制剂将是有用的抗动脉粥样硬化剂，因为缺少ACAT会影响胆固醇的吸收和转化，从而间接导致血管中胆固醇酯积聚的减少。该报告公开了黄嘌呤磺酰胺类作为ACAT的新型小分子抑制剂。合成并评估了一系列of吨酮磺酰胺，以鉴定出几种有效的ACAT抑制剂，其中2n被证明比阳性对照Sandoz58-35更有效。此外，基于计算对接结果，提供了2n与ACAT-2活性位点之间结合的分子模型。
• Synthesis and Herbicidal Evaluation of Novel 3-[(α-Hydroxy-substituted)benzylidene]pyrrolidine-2,4-diones
  作者：Youquan Zhu、Xiaomao Zou、Fangzhong Hu、Changsheng Yao、Bin Liu、Huazheng Yang

  DOI：10.1021/jf051510l

  日期：2005.11.1

  aroyl acetates with N-substituted glycine esters. The new compounds were identified by 1H NMR spectroscopy and elemental analyses. Their herbicidal activities were evaluated. Some compounds exhibited excellent herbicidal activities at a dose of 187.5 g/ha. A suitable electron-donating substituent at the 2- and/or 4-position of the phenyl ring was essential for high herbicidal activity, a result that has

  通过使不同的芳酰乙酸酯与N-取代的甘氨酸酯反应，合成了一系列3-[（（α-羟基-取代的）亚苄基]吡咯烷-2,4-二酮衍生物作为候选除草剂。通过1H NMR光谱和元素分析鉴定了这些新化合物。对它们的除草活性进行了评估。一些化合物在187.5 g / ha的剂量下表现出优异的除草活性。在苯环的2位和/或4位上合适的供电子取代基对于高除草活性是必不可少的，这一结果以前没有报道。还发现标题化合物的结构-活性关系不同于其他类似种类的较早化合物，其结果可能取决于烯醇结构的不同。
• Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases
  申请人：——

  公开号：US20010034343A1

  公开（公告）日：2001-10-25

  The present invention relates to novel 4-(1H-benzimidazol-2-yl)[1,4]diazepane derivatives of formula 1 and stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonist. Such antagonists are useful in the treatment of allergic rhinitis, including seasonal rhinitis and sinusitis; inflammatory bowel diseases, including Crohn's disease and ulcerative colitis; asthma; bronchitis; and emesis.

  本发明涉及一种新颖的4-(1H-苯并咪唑-2-基)[1,4]二氮杂环庚烷衍生物及其立体异构体，以及其药学上可接受的盐，其作为组胺受体拮抗剂和速激肽受体拮抗剂具有用途。这些拮抗剂在过敏性鼻炎的治疗中有用，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。