2,4-dihydroxy-6-propylbenzoic acid ethyl ester | 21855-51-6

• 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: 2,4-dihydroxy-6-propylbenzoic acid ethyl ester
• 英文别名: Ethyl 2,4-dihydroxy-6-propylbenzoate；ethyl 2,4-dihydroxy-6-propylbenzoate
• CAS: 21855-51-6
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: HCWSSRCTMYFELV-UHFFFAOYSA-N

物化性质

• 熔点：
  96-97 °C
• 沸点：
  398.6±27.0 °C(Predicted)
• 密度：
  1.180±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-dihydroxy-6-propylbenzoic acid ethyl ester 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 5-丙基-1,3-苯二酚
  参考文献：
  名称：

  Kato,T.; Hozumi,T., Chemical and pharmaceutical bulletin, 1972, vol. 20, p. 1574 - 1578

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 硫酸 作用下， 生成 2,4-dihydroxy-6-propylbenzoic acid ethyl ester
  参考文献：
  名称：

  Preimplantation diagnosis after assisted reproduction techniques for genetically-determined male infertility

  摘要：

  One hundred and thirty-six cycles with a poor prognosis for full-term pregnancy underwent preimplantation genetic diagnosis (PGD) of aneuploidy. The mean maternal age was 31.8+/-2.5 years. Only patients younger than 36 years were included in the study with the aim of evaluating whether sperm indices have an effect on the chromosomal constitution of preimplantation embryos. No differences were detected in the percentage of aneuploid embryos; however a higher incidence of monosomies and trisomies was found in MESATESE embryos compared to the group of normospermic patients. In addition, an increase in the proportion of gonosomal aneuploidy seemed to be associated with the severity of the male factor parameters. The rate of de-novo chromosomal abnormalities in embryos from patients with a normal karyotype suggested an increased frequency proportional to the severity of the male factor condition, the proportion of monosomic and trisomic embryos, and the percentage of gonosomal aneuploidy increased accordingly. In the case of couples with a male altered karyotype, comparable frequency of chromosomally abnormal embryos, and monosomy and trisomy were observed irrespective of semen indices, gonosomal aneuploidy was only observed in one case where the patient had a karyotype with gonosomal mosaicism. These data confirm that the severe male infertility condition determines an increase in the rate of de-novo abnormalities, as anticipate by the follow-up of the children born after ICSI. (C) 2000, Editrice Kurtis.

  DOI：

  10.1007/bf03343797

文献信息

• BIOENZYMATIC SYNTHESIS OF THC-v, CBV AND CBN AND THEIR USE AS THERAPEUTIC AGENTS
  申请人：Full Spectrum Laboratories Ltd

  公开号：US20170283837A1

  公开（公告）日：2017-10-05

  The present invention provides methods for producing cannabinoids. More specifically, the invention is directed to the bio-enzymatic synthesis of THC-v, CBV and CBN by contacting a compound according to Formula I with a cannabinoid synthase enzyme. Also described is a system for producing these pharmaceutically important cannabinoids and the use of such cannabinoids as therapeutic agents.

  本发明提供了生产大麻素的方法。更具体地说，该发明涉及通过将符合式I的化合物与大麻素合成酶接触来生物酶合成THC-v、CBV和CBN。还描述了一种生产这些在药用上重要的大麻素的系统，以及将这些大麻素用作治疗剂的用途。
• New Chloro Depsides from the Lichen Lecanora lividocinerea
  作者：John A. Elix、Caroline E. Barclay,、H. Thorsten Lumbsch、Judith H. Wardlaw

  DOI：10.1071/c97052

  日期：——

  The new depsides 3,5-dichloro-2′-O-methylnorstenosporic acid (4), 5-chloro-2′-O-methylanziaic acid (5) and 3,5-dichloro-2′-O-methylnorhyperlatolic acid (6) have been detected in the lichenLecanora lividocinerea and the structures of these metabolites have been established by unambiguous synthesis. In addition, the synthesis of the depside 3,5-dichloro-4-O-demethylplanaic acid (7) is described.

  新的去硫化物 3,5-二氯-2′-O-甲基钨孢酸（4）、 5-chloro-2′-O-methylanziaic acid (5) 和 3,5-二氯-2′-O-甲基全氟辛酸 (6) 和 3,5-二氯-2′-O-甲基正过柿酸（6）。 这些代谢物的结构已通过明确的 合成。此外，在地衣中还合成了 3,5-dichloro-4-O-demethylplanaic acid (7) 的合成。
• Crystalline Form of Cannabidiol
  申请人：Dickman Daniel

  公开号：US20170349518A1

  公开（公告）日：2017-12-07

  Crystalline Cannabidiol of a novel form, including (R,R)-(−)-crystalline Cannabidiol, as well as methods of making such novel form of Cannabidiol, pharmaceutical formulations comprising such novel form of Cannabidiol, and methods of treating diseases with such novel form of Cannabidiol.

  一种新型形式的晶体大麻二酚，包括(R,R)-(−)-晶体大麻二酚，以及制备这种新型形式的大麻二酚的方法，包括这种新型形式的大麻二酚的药物配方，以及使用这种新型形式的大麻二酚治疗疾病的方法。
• Crystalline cannabidivarin
  申请人：Dickman Daniel

  公开号：US10053407B2

  公开（公告）日：2018-08-21

  Solid cannabidivarin, crystalline cannabidivarin, (R,R)-(−)-crystalline cannabidivarin, (S,S)-(+)-crystalline cannabidivarin and substantially pure forms thereof are disclosed herein. Further disclosed are methods of making such cannabidivarin, compositions and formulations comprising such cannabidivarin, and methods of treating disease with such cannabidivarin.

  本文披露了固态大麻二烯酚、结晶大麻二烯酚、(R,R)-(−)-结晶大麻二烯酚、(S,S)-(+)-结晶大麻二烯酚及其基本纯形式。还披露了制备这种大麻二烯酚的方法、包含这种大麻二烯酚的组合物和配方，以及使用这种大麻二烯酚治疗疾病的方法。
• Crystalline form of cannabidiol
  申请人：Dickman Daniel

  公开号：US10399920B2

  公开（公告）日：2019-09-03

  Crystalline Cannabidiol of a novel form, including (R,R)-(−)-crystalline Cannabidiol, as well as methods of making such novel form of Cannabidiol, pharmaceutical formulations comprising such novel form of Cannabidiol, and methods of treating diseases with such novel form of Cannabidiol.

  新型结晶大麻二酚，包括(R,R)-(-)-结晶大麻二酚，以及制造这种新型大麻二酚的方法、包含这种新型大麻二酚的药物制剂和用这种新型大麻二酚治疗疾病的方法。