3-chloropropyl 4-hydroxybenzoate

• 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-chloropropyl 4-hydroxybenzoate
• 化学式: C₁₀H₁₁ClO₃
• 分子量: 214.649
• InChiKey: MLJHWGQGXZTUPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  3-chloropropyl 4-hydroxybenzoate 在 偶氮二甲酸二异丙酯 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.25h， 生成 3-(3-((4-oxo-4H-benzo[d][1,3]oxazin-2-yl)amino)phenoxy)propyl 4-(octadecyloxy)benzoate
  参考文献：
  名称：

  1,3-Oxazine-2-one derived dual-targeted molecules against replicating and non-replicating forms of Mycobacterium tuberculosis

  摘要：

  The high mortality rate and increasing prevalence of resistant Mtb are the major concerns for the Tuberculosis (TB) treatment in this century. To curtail the prevalence of resistant Mtb, we have prepared 1,3-oxazine-2-one based dual targeted molecules. Compound 67 and 68 were found to be equally active against replicating and non-replicatiing form of Mtb (MIC_MABA 3.48 and 2.97 μg/ml; MIC_LORA 2.94 and 2.15 μg/ml respectively). They had found to suppress the biosynthesis of alfa, methoxy and keto-mycolate completely, as well as inhibit enzymatic activity of MenG (IC₅₀ = 9.11 and 6.25 μg/ml respectively for H37Ra; IC₅₀ = 11.76 and 10.88 μg/ml respectively for M smegmatis).

  DOI：

  10.1016/j.ejmech.2020.112835
• 作为产物：
  描述：

  3-氯-1-丙醇 、 对羟基苯甲酸 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 6.25h， 以77.3%的产率得到3-chloropropyl 4-hydroxybenzoate
  参考文献：
  名称：

  1,3-Oxazine-2-one derived dual-targeted molecules against replicating and non-replicating forms of Mycobacterium tuberculosis

  摘要：

  The high mortality rate and increasing prevalence of resistant Mtb are the major concerns for the Tuberculosis (TB) treatment in this century. To curtail the prevalence of resistant Mtb, we have prepared 1,3-oxazine-2-one based dual targeted molecules. Compound 67 and 68 were found to be equally active against replicating and non-replicatiing form of Mtb (MIC_MABA 3.48 and 2.97 μg/ml; MIC_LORA 2.94 and 2.15 μg/ml respectively). They had found to suppress the biosynthesis of alfa, methoxy and keto-mycolate completely, as well as inhibit enzymatic activity of MenG (IC₅₀ = 9.11 and 6.25 μg/ml respectively for H37Ra; IC₅₀ = 11.76 and 10.88 μg/ml respectively for M smegmatis).

  DOI：

  10.1016/j.ejmech.2020.112835

文献信息

• Antimicrobial polymers and compositions containing them
  申请人：Reckitt & Colman Inc.

  公开号：EP0641805A1

  公开（公告）日：1995-03-08

  The invention provides a polymer having antimicrobial properties derived from one or more ethylenically unsaturated monomers characterised in that the polymer has a phenolic antimicrobial agent covalently bound thereto. The polymer may be used as a sanitizing agent in a sanitising composition comprising a solvent having a sanitising agent dissolved or dispersed therein.

  本发明提供了一种具有抗菌特性的聚合物，该聚合物由一种或多种乙烯基不饱和单体衍 生，其特征在于该聚合物具有共价结合的酚类抗菌剂。该聚合物可用作消毒组合物中的消毒剂，该消毒组合物由溶解或分散有消毒剂的溶剂组成。
• US5532290A
  申请人：——

  公开号：US5532290A

  公开（公告）日：1996-07-02
• 1,3-Oxazine-2-one derived dual-targeted molecules against replicating and non-replicating forms of Mycobacterium tuberculosis
  作者：Anand Babu Velappan、Dhanunjaya Kesamsetty、Dhrubajyoti Datta、Rui Ma、Natarajan Hari、Scott G. Franzblau、Joy Debnath

  DOI：10.1016/j.ejmech.2020.112835

  日期：2020.12

  The high mortality rate and increasing prevalence of resistant Mtb are the major concerns for the Tuberculosis (TB) treatment in this century. To curtail the prevalence of resistant Mtb, we have prepared 1,3-oxazine-2-one based dual targeted molecules. Compound 67 and 68 were found to be equally active against replicating and non-replicatiing form of Mtb (MIC_MABA 3.48 and 2.97 μg/ml; MIC_LORA 2.94 and 2.15 μg/ml respectively). They had found to suppress the biosynthesis of alfa, methoxy and keto-mycolate completely, as well as inhibit enzymatic activity of MenG (IC₅₀ = 9.11 and 6.25 μg/ml respectively for H37Ra; IC₅₀ = 11.76 and 10.88 μg/ml respectively for M smegmatis).