3-propylphenyl methanol | 125604-02-6

• 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: 3-propylphenyl methanol
• 英文别名: 3-n-Propylphenylmethanol；3-Propylbenzenemethanol；3-Propylphenylmethanol；(3-Propylphenyl)methanol
• CAS: 125604-02-6
• 化学式: C₁₀H₁₄O
• 分子量: 150.221
• InChiKey: COEWZVCOHUGIPE-UHFFFAOYSA-N

物化性质

• 沸点：
  241.3±8.0 °C(Predicted)
• 密度：
  0.984±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-丙基甲苯 在 Cellulosimicrobium cellulans EB-8-4 作用下， 反应 10.0h， 以16%的产率得到3-propylphenyl methanol
  参考文献：
  名称：

  Highly chemo- and regio-selective hydroxylations of o- and m-substituted toluenes to benzyl alcohols with Cellulosimicrobium cellulans EB-8-4

  摘要：

  Highly chemo- and regio-selective benzylic hydroxylations of o- and m-substituted toluenes were achieved with the easily available and easy-to-handle resting cells of Cellulosimicrobium cellulans EB-8-4 as biocatalysts, giving the corresponding benzyl alcohols as single product. Benzyl alcohols were obtained in 78-94% yield, demonstrating the first green, clean, and simple method for the preparation of benzyl alcohols via hydroxylations. Biotransformation of 4-methylbenzyl chloride with the same strain gave 4-methylbenzyl alcohol in 67-81% yield, suggesting a novel dehalogenation activity of the cells and providing a novel, green, and efficient method for the preparation of 4-methylbenzyl alcohol as well as the application potential in biodegradation of chlorine-containing aromatics. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.039

文献信息

• Modulators of Cystic Fibrosis Transmembrane Conductance Regulator
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：US20160095858A1

  公开（公告）日：2016-04-07

  The present invention features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R 1 , R 2 , R 3 , W, X, Y, Z, n, o, p, and q are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present invention also features pharmaceutical compositions, method of treating, and kits thereof.

  本发明涉及一种具有以下化学式I的化合物： 或其药用可接受的盐，其中R 1 ，R 2 ，R 3 ，W，X，Y，Z，n，o，p和q在此处定义，用于治疗CFTR介导的疾病，如囊性纤维化。本发明还涉及药物组合物、治疗方法和相关工具包。
• Uracil compounds as P2-purinoreceptor 7-transmembrane G-protein coupled receptor antagonists
  申请人：AstraZeneca UK Limited

  公开号：US06218376B1

  公开（公告）日：2001-04-17

  Compounds of formula I or salts thereof where for example Y is a group of the formula (i) and R1 is a group of formula (ii) are provided along with compositions containing them and processes for their preparation. The compounds are P2-purinoreceptor 7-transmembrane G-protein coupled receptor antagonists, and are useful in the treatment of inflammatory conditions.

  提供了具有公式I或其盐的化合物，其中例如Y是公式（i）的基团，R1是公式（ii）的基团，以及含有它们的组合物和其制备方法。这些化合物是P2-嘌呤受体7-跨膜G蛋白偶联受体拮抗剂，可用于治疗炎症症状。
• Cycloalkyl-dione Derivatives And Methods Of Their Use
  申请人：Atasoylu Onur

  公开号：US20120329877A1

  公开（公告）日：2012-12-27

  The present invention is directed to compounds of formula I: wherein A is n is 0, 1, or 2; m is 0 or 1; R 1 is H or C 1-6 alkyl and R 2 is H, C 1-6 alkyl, substituted or unsubstituted aryl, or substituted or unsubstituted heteroaryl; and X is O or N; as well as tautomers and pharmaceutically acceptable salt forms thereof. Uses of these compounds are also described.

  本发明涉及以下式I的化合物：其中A为0、1或2；m为0或1；R1为H或C1-6烷基，R2为H、C1-6烷基、取代或未取代芳基，或取代或未取代杂环芳基；X为O或N；以及它们的互变异构体和药学上可接受的盐形式。还描述了这些化合物的用途。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES
  申请人：ASTRA PHARMACEUTICALS LTD.

  公开号：WO1998054180A1

  公开（公告）日：1998-12-03

  (EN) The invention relates to new pharmaceutically active compounds of formula (I) or a salt thereof in which A is a 5-membered heterocyclic ring containing 1 to 3 heteroatoms selected from nitrogen, oxygen or sulfur, which are P2-purinoceptor 7-transmembrane (TM)G-protein coupled receptor antagonists, compositions containing them and processes for their preparation.(FR) L'invention concerne de nouveaux composés actifs pharmaceutiquement de la formule (I) ou leur sel, formule dans laquelle A est un noyau hétérocyclique à 5 éléments contenant 1 à 3 hétéroatomes sélectionnés parmi l'azote, l'oxygène ou le soufre. Ces composés sont des antagonistes des récepteurs liés aux protéines G 7-transmembranaires(TM) P2-purinocepteurs. L'invention concerne des compositions contenant ces composés et leurs procédés de préparation.

  该发明涉及公式（I）或其盐的新的药物活性化合物，其中A是一个含有1至3个从氮、氧或硫中选择的杂原子的5元杂环环，这些化合物是P2-嘌呤受体7-跨膜（TM）G蛋白偶联受体拮抗剂，包含它们的组合物以及它们的制备方法。
• CRYSTALLINE FORM OF 6-[(4S)-2-METHYL-4-(2-NAPHTHYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL]PYRIDAZIN-3-AMINE
  申请人：Qiu Jun

  公开号：US20110160220A1

  公开（公告）日：2011-06-30

  The present disclosure generally relates to a crystalline form of 6-[(4S)-2-methyl-4-(naphthyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]pyridazin-3-amine. The present disclosure also generally relates to pharmaceutical compositions comprising the crystalline form, as well of methods of using a crystalline form in the treatment of depression and other conditions and methods for obtaining such crystalline form.

  本公开涉及6-[(4S)-2-甲基-4-(萘基)-1,2,3,4-四氢异喹啉-7-基]吡啶并[3,4-d]嘧啶-3-胺的晶体形式。本公开还涉及包含该晶体形式的制药组合物，以及使用晶体形式治疗抑郁症和其他疾病的方法和获取这种晶体形式的方法。