2-丁氧基苯甲酸 | 2200-81-9

• 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-丁氧基苯甲酸
• 中文别名: 2-叔丁氧基苯甲酸
• 英文名称: 2-butoxybenzoic acid
• CAS: 2200-81-9
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD00778679
• 分子量: 194.23
• InChiKey: UABHETFCVNRGNL-UHFFFAOYSA-N

物化性质

• 沸点：
  121-211 °C(Press: 35 Torr)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2918990090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-丁氧基苯甲酸 在 sodium trimethylsilanolate 作用下， 生成
  参考文献：
  名称：

  WO2008/116141

  摘要：

  公开号：
• 作为产物：
  描述：

  水杨酸乙酯 在 sodium hydroxide 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 2-丁氧基苯甲酸
  参考文献：
  名称：

  Enantioselective Molecular Recognition between β-Sheets

  摘要：

  This communication asks whether homochiral or heterochiral interaction is preferred between enantiomeric beta-sheets and finds that homochiral pairing is strongly preferred. Interactions between beta-sheets occur widely among proteins through pairing of the hydrogen-bonding edges. Although the hydrogen-bonding edges of both l- and d-beta-sheets put forth the same pattern of hydrogen-bond donor and acceptor groups, the side chains point in opposite directions. Homochiral pairing of beta-sheets generates structures in which the pleats and side chains of adjacent beta-strands are parallel to each other, while heterochiral pairing of beta-sheets generates structures in which the pleats and side chains are antiparallel. To test which pairing is preferred, we have prepared and studied the interactions of beta-sheets 1a-d, which comprise all l-amino acids, and beta-sheets 2a-c, which comprise all d-amino acids. Previous studies in our laboratory have established that these compounds form well-defined dimers in organic solvents. In the current study, 1H NMR experiments establish that when the l-beta-sheets (1) are mixed with the enantiomeric d-beta-sheets (2), homochiral beta-sheet dimers predominate, and only small quantities of heterochiral beta-sheet dimers form. Ratios of homochiral and heterochiral dimers ranging from 95.8:4.2 to 98.5:1.5 are measured in CDCl3 at 253 K, which correspond to statistically corrected free-energy differences of 3.1-4.2 kcal/mol (0.6-0.8 kcal/mol per interacting residue). Possible explanations for the high enantioselectivity of molecular recognition between beta-sheets include favorable nonbonded contacts between the adjacent beta-strands of the homochiral beta-sheets and poor fit of the heterochiral beta-strands, which should twist in opposite directions.

  DOI：

  10.1021/ja031632z

文献信息

• CYSTEINYL LEUKOTRIENE ANTAGONISTS
  申请人：Rathod Rajendrasinh

  公开号：US20140155596A1

  公开（公告）日：2014-06-05

  The present invention relates to novel cysteinyl leukotriene (specifically LTD4) antagonists, mainly to quinolin, quinoxaline or benz[c]thiazole derivatives represented by the general formula (I), or the pharmaceutically acceptable salt thereof, process of preparation thereof, and to the use of the compounds in the preparation of pharmaceutical compositions for the therapeutic treatment of disorders related to cysteinyl leukotriene, in mammals, more specially in humans.

  本发明涉及新型半胱氨酸类白三烯（特别是LTD4）拮抗剂，主要是由一般式（I）所代表的喹啉、喹喔啉或苯[c]噻唑衍生物，或其药学上可接受的盐，其制备方法，以及在哺乳动物，特别是人类中，用这些化合物制备用于治疗与半胱氨酸类白三烯相关的疾病的药物组合物。
• Oxidative carbonylation of monohydroxy aryl compounds by methyl formate
  申请人：Bayer MaterialScience AG

  公开号：EP2781503A1

  公开（公告）日：2014-09-24

  The field of the present invention relates to a process for continuously preparing alkylaryl carbonates and diarylcarbonates from methyl formate and at least one monohydroxy aryl compound in the presence of catalysts, and to the use thereof for preparation of polycarbonates.

  本发明领域涉及一种在催化剂存在下，从甲酸甲酯和至少一种单羟基芳基化合物连续制备烷基芳基碳酸酯和二芳基碳酸酯的方法，以及其用于制备聚碳酸酯的用途。
• [EN] PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS<br/>[FR] COMPOSÉS PHARMACEUTIQUES POUR LE TRAITEMENT DE TROUBLES MÉDIÉS PAR LE COMPLÉMENT
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2020198062A1

  公开（公告）日：2020-10-01

  This disclosure provides pharmaceutical compounds to treat medical disorders, such as complement-mediated disorders, including complement Cl -mediated disorders.

  这份披露提供了用于治疗医学疾病的药物化合物，例如包括补体介导的疾病在内的补体Cl-介导的疾病。
• Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase
  申请人：Forum Pharmaceuticals, Inc.

  公开号：US20170000749A1

  公开（公告）日：2017-01-05

  This disclosure relates to compounds for the inhibition of histone deacetylase and treatment of a cognitive disorder or deficit. More particularly, the disclosure provides for compounds of formula (I) wherein Q, J, L and Z are as defined in the specification.

  这份披露涉及用于抑制组蛋白去乙酰化酶和治疗认知障碍或缺陷的化合物。更具体地，该披露提供了公式（I）的化合物 其中 Q、J、L和Z如规范中所定义。
• [EN] INHIBITORS OF HISTONE DEACETYLASE<br/>[FR] INHIBITEURS DE L'HISTONE DÉSACÉTYLASE
  申请人：ENVIVO PHARMACEUTICALS INC

  公开号：WO2009137499A1

  公开（公告）日：2009-11-12

  Compounds which are histone deacetylase inhibitors and their use in treating various disorders, including Alzheimer's Disease.

  组合物是组蛋白去乙酰化酶抑制剂，用于治疗各种疾病，包括阿尔茨海默病。