2-Methoxy-5-n-propylbenzoic acid | 130880-58-9

• 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: 2-Methoxy-5-n-propylbenzoic acid
• 英文别名: 5-propyl-2-methoxybenzoic acid；2-methoxy-5-propylbenzoic acid
• CAS: 130880-58-9
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: PDFFHURFROGHFT-UHFFFAOYSA-N

物化性质

• 沸点：
  325.0±30.0 °C(Predicted)
• 密度：
  1.108±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Methoxy-5-n-propylbenzoic acid 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 2-Methoxy-5-propylbenzoyl chloride
  参考文献：
  名称：

  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

  摘要：

  DOI：

  10.1016/0223-5234(90)90145-s
• 作为产物：
  描述：

  5-propionyl-2-methoxybenzoic acid 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 2-Methoxy-5-n-propylbenzoic acid
  参考文献：
  名称：

  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

  摘要：

  DOI：

  10.1016/0223-5234(90)90145-s

文献信息

• [EN] COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1<br/>[FR] COMPOSÉS UTILES EN TANT QU'INHIBITEURS D'ALCAT 1
  申请人：PERENNA PHARMACEUTICALS INC

  公开号：WO2018178304A1

  公开（公告）日：2018-10-04

  Inhibitors of ALCAT1 are described having the general formula: (I). These compounds offer a treatment for aging and age-related diseases.

  ALCAT1的抑制剂具有一般公式：(I)。这些化合物提供了治疗衰老和与年龄相关疾病的方法。
• Compounds useful as inhibitors of ALCAT 1
  申请人：PERENNA PHARMACEUTICALS, INC.

  公开号：US11208404B2

  公开（公告）日：2021-12-28

  Inhibitors of ALCAT1 are described having the general formula: (I). These compounds offer a treatment for aging and age-related diseases.

  ALCAT1 的抑制剂通式如下：(I).这些化合物可治疗衰老和与衰老有关的疾病。
• COMPOUNDS USEFUL AS INHIBITORS OF ALCAT 1
  申请人：Perenna Pharmaceuticals, Inc.

  公开号：EP3601274A1

  公开（公告）日：2020-02-05
• Quantitative structure-activity analysis of larvicidal 1-(substituted benzoyl)-2-benzoyl-1-tert-butylhydrazines against<i>Chilo suppressalis</i>
  作者：Nobuhiro Oikawa、Yoshiaki Nakagawa、Keiichiro Nishimura、Tamio Ueno、Toshio Fujita

  DOI：10.1002/ps.2780410210

  日期：1994.6

  AbstractThe larvicidal activity of a number of 1‐(substituted benzoyl)‐2‐benzoyl–1 ‐ten‐butylhydrazines against the rice stem borer (Chilo suppressalis Walk.) was measured. Variations in the activity were examined quantitatively using physico‐chemical substituent and molecular parameters and regression analysis. The results indicated that the molecular hydrophobicity and the electron‐withdrawing inductive/ field effect of ontho substituents are favourable to larvicidal activity. The bulkiness of substituents at the meta and para positions was unfavourable to activity, substitution at the para position being more unfavourable than that at the meta position in terms of van der Waals' volume. The 2,3–, 2,5‐ and 2,6‐disubstitution patterns were also unfavourable to activity. Reductions in larvicidal activity caused by the 2,6‐,‐ 2,3,5‐ and 2,3,4,5‐substitutions were greater than those induced by the 2,3‐ and 2,5‐disubstitutions. When the sum of contributions from favourable effects is greater than that from unfavourable effects, the larvicidal activity is expected to be superior to that of the unsubstituted compound.
• 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