3-chloro-2,6-dimethoxybenzoyl chloride | 36335-48-5

• 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: 3-chloro-2,6-dimethoxybenzoyl chloride
• CAS: 36335-48-5
• 化学式: C₉H₈Cl₂O₃
• 分子量: 235.067
• InChiKey: GINXNFVKWFHSPY-UHFFFAOYSA-N

物化性质

• 沸点：
  340.6±37.0 °C(Predicted)
• 密度：
  1.337±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-chloro-2,6-dimethoxybenzoyl chloride 在 sodium selenide 作用下， 以 乙醚 为溶剂， 反应 12.0h， 以82%的产率得到sodium 3-chloro-2,6-dimethoxybenzenecarboselenoate
  参考文献：
  名称：

  Kato, Shinzi; Kageyama, Hideki; Takagi, Kazutaka, Journal fur praktische Chemie (Leipzig 1954), 1990, vol. 332, # 6, p. 898 - 910

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二甲氧基苯甲酸 在 磺酰氯 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成 3-chloro-2,6-dimethoxybenzoyl chloride
  参考文献：
  名称：

  Cuyegkeng, Maria Assunta; Mannschreck, Albrecht, Chemische Berichte, 1987, vol. 120, p. 803 - 810

  摘要：

  DOI：

文献信息

• Beta-lactamase inhibitors and uses thereof
  申请人：ARIXA PHARMACEUTICALS, INC.

  公开号：US10085999B1

  公开（公告）日：2018-10-02

  β-Lactamase inhibiting compounds, therapeutic methods of using the β-lactamase inhibiting compounds, particularly in combination with β-lactam antibiotics and pharmaceutical compositions thereof are disclosed. The β-lactamase inhibiting compounds are suitable for oral administration.

  β-内酰胺酶抑制化合物，使用β-内酰胺酶抑制化合物的治疗方法，特别是与β-内酰胺类抗生素结合以及其制药组合物被披露。这些β-内酰胺酶抑制化合物适合口服给药。
• Diaroyl Tellurides: Synthesis, Structure and NBO Analysis of (2-MeOC6H4CO)2Te – Comparison with Its Sulfur and Selenium Isologues. The First Observation of [MgBr][R(C=Te)O] Salts
  作者：Osamu Niyomura、Shoho Nakaiida、Ryo Yamada、Shinzi Kato、Masaru Ishida、Masahiro Ebihara、Fumio Ando、Jugo Koketsu

  DOI：10.3390/molecules14072555

  日期：——

  contrast, the oxygen and sulfur isologues (2-MeOC(6)H(4)CO)(2)E (E = O, S), show that one of the two methoxy oxygen atoms contacts with the oxygen atom of the carbonyl group connected to the same benzene ring. The structure of di(2-methoxybenzoyl) selenide which was obtained by MO calculation resembles that of tellurium isologues rather than the corresponding oxygen and sulfur isologues. The reactions of

  通过芳烃碳碲酸钠或钾与酰氯在乙腈中的反应，以中等至良好的收率制备了一系列芳族二酰基碲化物。对2-甲氧基苯甲酸酐和双(2-甲氧基苯甲酰基)硫化物、硒化物和碲化物进行了X射线结构分析和理论计算。双（2-甲氧基苯甲酰基）碲化物的两个 2-MeOC(6)H(4)CO 部分几乎是平面的，两个甲氧基氧原子分子内配位到 C(11)-Te(11) 两侧的中心碲原子)-C(22) 平面。相比之下，氧和硫同系物 (2-MeOC(6)H(4)CO)(2)E (E = O, S) 表明两个甲氧基氧原子之一与羰基氧原子接触基团连接在同一个苯环上。MO计算得到的二(2-甲氧基苯甲酰基)硒化物的结构类似于碲同系物而不是相应的氧和硫同系物。二（芳酰基）碲化物与格氏试剂的反应导致形成碲羧基镁配合物 [MgBr][R(C=Te)O]。
• Potential neuroleptic agents. 2,6-Dialkoxybenzamide derivatives with potent dopamine receptor blocking activities
  作者：Lennart Florvall、Sven Ove Oegren

  DOI：10.1021/jm00353a003

  日期：1982.11

  A series of some novel N-(l-ethyl-2-pyrrolidinylmethyl)benzamides was synthesized and tested for dopamine receptor blockade in vivo by the ability to block the apomorphine syndrome in the rat. Several compounds were considerably more potent than sulpiride as dopamine receptor blockers and displayed low liability to induce extrapyramidal side effects (catalepsy) in the rat. The blockade of dopamine receptor activity in vivo was mainly confined to the levorotatory isomers having the S absolute configuration. The structure-activity relationships are discussed.
• Potential neuroleptic agents. 3. Chemistry and antidopaminergic properties of substituted 6-methoxysalicylamides
  作者：Tomas De Paulis、Yatendra Kumar、Lars Johansson、Sten Raemsby、Lennart Florvall、Haakan Hall、Kristina Aengeby-Moeller、Sven Ove Oegren

  DOI：10.1021/jm00147a025

  日期：1985.9

  A series of substituted 6-methoxysalicylamides were synthesized from their corresponding 2,6-dimethoxybenzamides by demethylation of one methoxy group with boron tribromide. Substituted 6-methoxysalicylamides having a lipophilic aromatic substituent in the 3-position para with respect to the methoxy group, e.g. a bromo or an iodo atom or an ethyl or a propyl group, and having an (S)-N-(1-alkyl-2-pyrrolidinyl)methyl moiety as the side chain were found to be potent blockers of [3H]spiperone binding in vitro and potent inhibitors of the apomorphine syndrome in the rat. Similar to remoxipride but in contrast to haloperidol, some of the substituted salicylamides show a 10-20-fold separation between the dose that inhibits hyperactivity and that which inhibits stereotypy. It was concluded that, besides the requirement of a lipophilic substituent in the position para to the methoxy group for antidopamine activity in vivo, the formation of a coplanar six-membered pseudoring involving the amide moiety and the methoxy group is a structural requirement for activity in vitro.
• Potential antipsychotic agents. 6. Synthesis and antidopaminergic properties of substituted N-(1-benzyl-4-piperidinyl)salicylamides and related compounds. QSAR based design of more active members
  作者：T de Paulis、H Hall、Y Kumar、S Rämsby、SO Ögren、T Högberg

  DOI：10.1016/0223-5234(90)90145-s

  日期：1990.7