3-isopropyl-5-methylphenol acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 3-isopropyl-5-methylphenol acetate
• 英文别名: (3-Methyl-5-propan-2-ylphenyl) acetate
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: PXWHUSVUXUIFMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-异丙基-3-甲酚 、 乙酸酐 在 盐酸 、 potassium iodate 、 potassium iodide 、 吡啶 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 3-isopropyl-5-methylphenol acetate 、 4-iodo-3-isopropyl-5-methylphenol acetate
  参考文献：
  名称：

  Development of Potent μ-Opioid Receptor Ligands Using Unique Tyrosine Analogues of Endomorphin-2

  摘要：

  Six analogues of tyrosine, which contained alkyl groups at positions 2', 3', and 6', either singly or in combination on the tyramine ring, were investigated for their effect on the opioid activity of [Xaa(1)]endomorphin-2 (EM-2). The opioid analogues displayed the following characteristics: (i) high mu-opioid receptor affinity [K-i(mu) = 0.063-2.29 nM] with selectivity [K-i(delta)/Ki(mu)] ranging from 46 to 5347; (ii) potent functional mu-opioid agonism [GPI assay (IC50 = 0.623-0.924 nM)1 and with a correlation between delta-opioid receptor affinities and functional bioactivity using MVD; (iii) intracerebroventricular administration of [Dmt(1)]- (14) and [Det(1)]EM-2 (10) produced a dose-response antinociception in mice, with the former analogue more active than the latter; and (iv) a marked shift occurred from the trans-orientation at the Tyr(1)-Pro(2) bond to a cis-conformer compared to that observed previously with [Dmt(1)]EM-2 (14) (Okada et al. Bioorg. Med. Chem. 2003, 11, 1983-1984) except [Mmt(1)]EM-2 (7). The active profile of the [Xaa(1)]EM-2 analogues indicated that significant modifications on the tyramine ring are possible while high biological activity is maintained.

  DOI：

  10.1021/jm049384k

文献信息

• HERBIZID WIRKSAME 3-PHENYLISOXAZOLINDERIVATE
  申请人：Bayer CropScience AG

  公开号：EP2900645A1

  公开（公告）日：2015-08-05
• [EN] ALKYLPHENOL DERIVATIVES HAVING PHYTOPATHOGENIC FUNGI ACTIVITIES<br/>[FR] DÉRIVÉS D'ALKYLPHÉNOL PRÉSENTANT UNE ACTIVITÉ CONTRE LES CHAMPIGNONS PHYTOPATHOGÈNES
  申请人：DONGBU HANNONG CHEMICALS CO LT

  公开号：WO2007004753A1

  公开（公告）日：2007-01-11

  [EN] Disclosed herein is an alkylphenol derivative having inhibitory activities on the growth of phytopathogenic fungi, represented by Formula 1, and a growth inhibitor for phytopathogenic fungi containing the alkylphenol derivative as an effective component. The alkylphenol derivative of this invention may exhibit excellent inhibitory activities on the growth of phytopathogenic fungi, for example, Phytophthora infestans, Pyrcularia grisea, Alternaria alternata f. sp. mali, Colletotrichum orbiculare, Rhizoctonia solini, Colletotrichum gloeasporioid.es, Botrytis cinerea, and Phytophthora capsici, and thus, may be used as an environmentally friendly disinfecting agent.
  [FR] La présente invention décrit un dérivé d'alkylphénol, représenté par la formule 1, qui présente une activité inhibitrice sur la croissance de champignons phytopathogènes, ainsi qu'un inhibiteur de croissance de champignons phytopathogènes qui comprend les dérivés d'alkylphénol comme composant efficace. Le dérivé d'alkylphénol de la présente invention peut présenter une excellente activité inhibitrice sur la croissance de champignons phytopathogènes, par exemple, Phytophthora infestans, Pyrcularia grisea, Alternaria alternata f. sp. mali, Colletotrichum orbiculare, Rhizoctonia solini, Colletotrichum gloeasporioid.es, Botrytis cinerea et Phytophthora capsici, et il peut ainsi être utilisé comme agent désinfectant écologique.
• Development of Potent μ-Opioid Receptor Ligands Using Unique Tyrosine Analogues of Endomorphin-2
  作者：Tingyou Li、Yoshio Fujita、Yuko Tsuda、Anna Miyazaki、Akihiro Ambo、Yusuke Sasaki、Yunden Jinsmaa、Sharon D. Bryant、Lawrence H. Lazarus、Yoshio Okada

  DOI：10.1021/jm049384k

  日期：2005.1.1

  Six analogues of tyrosine, which contained alkyl groups at positions 2', 3', and 6', either singly or in combination on the tyramine ring, were investigated for their effect on the opioid activity of [Xaa(1)]endomorphin-2 (EM-2). The opioid analogues displayed the following characteristics: (i) high mu-opioid receptor affinity [K-i(mu) = 0.063-2.29 nM] with selectivity [K-i(delta)/Ki(mu)] ranging from 46 to 5347; (ii) potent functional mu-opioid agonism [GPI assay (IC50 = 0.623-0.924 nM)1 and with a correlation between delta-opioid receptor affinities and functional bioactivity using MVD; (iii) intracerebroventricular administration of [Dmt(1)]- (14) and [Det(1)]EM-2 (10) produced a dose-response antinociception in mice, with the former analogue more active than the latter; and (iv) a marked shift occurred from the trans-orientation at the Tyr(1)-Pro(2) bond to a cis-conformer compared to that observed previously with [Dmt(1)]EM-2 (14) (Okada et al. Bioorg. Med. Chem. 2003, 11, 1983-1984) except [Mmt(1)]EM-2 (7). The active profile of the [Xaa(1)]EM-2 analogues indicated that significant modifications on the tyramine ring are possible while high biological activity is maintained.