3-(4-methylphenoxy)propan-1-ol | 52449-00-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(4-methylphenoxy)propan-1-ol
• 英文别名: 3-(p-methylphenoxy)propan-1-ol；3-(4'-methylphenoxy)propanol；3-(p-tolyloxy)propan-1-ol；3-p-tolyloxy-propan-1-ol；(γ-Oxy-propyl)-p-tolyl-aether；Trimethylenglykol-mono-p-tolylaether；3-(4-Methylphenoxy)-1-propanol
• CAS: 52449-00-0
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: QXTKEUOIVIQBBU-UHFFFAOYSA-N

物化性质

• 熔点：
  21-22 °C
• 沸点：
  171 °C(Press: 39 Torr)
• 密度：
  1.037±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-methylphenoxy)propan-1-ol 在 氢氧化钾 、 三溴化磷 作用下， 以 乙醇 、 水 为溶剂， 生成 5-(4'-methylphenoxy)pentanoic acid
  参考文献：
  名称：

  Long-acting contraceptive agents: Norethisterone esters of arylcarboxylic acids

  摘要：

  The synthesis of esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxy-estr-4-en-3-one) with acids containing a benzene ring is described, two methods of esterification being compared in terms of yield and convenience. The activities of these esters as long-acting contraceptive agents have been evaluated.

  DOI：

  10.1016/0039-128x(83)90101-0
• 作为产物：
  描述：

  1-(3-(4-iodo-3-methoxy-3-methylbutoxy)propoxy)-4-methylbenzene 在 N,N,N',N'-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a;2',1'-c][1,4]diazepine-2,12-diamine 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 以87%的产率得到3-(4-methylphenoxy)propan-1-ol
  参考文献：
  名称：

  在α甲氧基γ-烷氧基烷基碘化物基板的具有超级电子给体从4-DMAP和得到的反应中观察到的分片Ñ -methylbenzimidazole †往最‡ §

  摘要：

  衍生自的超电子给体（SED）的反应 4-二甲基氨基吡啶 和从 N-甲基苯并咪唑与α-甲氧基-γ-烷氧基烷基碘一起使用会导致γ-烷氧基作为其醇的释放。这与从烷基卤化物前体产生烷基自由基，以及通过SED的自由基阳离子捕获这些自由基，然后进行杂化裂解相一致。

  DOI：

  10.1039/c0ob01282c

文献信息

• [EN] NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS<br/>[FR] NOUVEAUX DERIVES DE PYRIDINONE ET LEUR UTILISATION EN TANT QUE MODULATEURS ALLOSTERIQUES POSITIFS DES RECEPTEURS MGLUR2
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006030032A1

  公开（公告）日：2006-03-23

  The present invention relates to novel compounds, in particular novel pyridinone derivat ives according to Formula (I) X R1 N Y (I) R2 R3 wherein all radicals are defined in the application. The compounds according to the invention are positive allosteric modulators of metabotropic receptors - subt ype 2 ('mGluR2') which are useful for the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 subtype of metabotropic receptors is involved. In particular, such diseases are central nervous system disorders selected from the group of anxiety, schizophrenia, migraine, depression, and epilepsy. The invention is also directed to pharmaceutical compositions and processes to prepare such compounds and compositions, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR2 is involved.

  本发明涉及新化合物，特别是根据式（I）X R1 N Y（I）R2 R3定义的新吡啶酮衍生物。根据本发明的化合物是代谢型受体-亚型2（'mGluR2'）的阳性变构调节剂，对于治疗或预防与谷氨酸功能障碍相关的神经和精神障碍以及涉及代谢型受体的mGluR2亚型的疾病具有用处。特别是，这些疾病是从焦虑、精神分裂症、偏头痛、抑郁症和癫痫等中枢神经系统障碍组中选择的。该发明还涉及制备此类化合物和组合物的药物组合物和过程，以及利用这类化合物预防和治疗涉及mGluR2的这类疾病。
• [EN] BENZOXAZINES AS MODULATORS OF ION CHANNELS<br/>[FR] BENZOXAZINES COMME MODULATEURS DES CANAUX IONIQUES
  申请人：VERTEX PHARMA

  公开号：WO2013067248A1

  公开（公告）日：2013-05-10

  The invention relates to benzoxazines useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及可用作离子通道抑制剂的苯并噁嗪。本发明还提供了包含本发明化合物的药用可接受组合物，以及使用这些组合物治疗各种疾病的方法。
• Ligand-free Cu-catalyzed O-arylation of aliphatic diols
  作者：Yufen Zheng、Wenxing Zou、Laichun Luo、Jiabei Chen、Songwen Lin、Qi Sun

  DOI：10.1039/c5ra12529d

  日期：——

  Coupling reaction between aryl iodides with aliphatic diols was realized with a ligand-free copper catalyst. This method was successfully applied in the process of scale-up synthesis of medicinal candidate product EMB-3.

  芳基碘化物与脂肪二醇之间的偶联反应是利用无配体铜催化剂实现的。该方法成功应用于药物候选产品EMB-3的放大合成过程中。
• Selective Aerobic Oxidation of Methylarenes to Benzaldehydes Catalyzed by <i>N</i> -Hydroxyphthalimide and Cobalt(II) Acetate in Hexafluoropropan-2-ol
  作者：Eden Gaster、Sebastian Kozuch、Doron Pappo

  DOI：10.1002/anie.201702511

  日期：2017.5.15

  Efficient and highly selective catalytic conditions for the aerobic autoxidation of methylarenes to benzaldehydes, based on N‐hydroxyphthalimide (NHPI) and cobalt(II) acetate in 1,1,1,3,3,3‐hexafluoropropan‐2‐ol (HFIP), were developed. The sustainable conditions enable a multigram scale preparation of benzaldehyde derivatives in high efficiency and with excellent chemoselectivity (up to 99 % conversion

  基于N-羟基邻苯二甲酰亚胺（NHPI）和乙酸钴（II）在1,1,1,3,3,3-六氟丙烷-2-醇（HFIP）中的甲基芳烃好氧自氧化为苯甲醛的高效且高度选择性的催化条件，被开发出来。可持续的条件使高效，高化学选择性（高达99％的转化率和98％的选择性）的苯甲醛衍生物能够以克为单位进行大规模制备。
• Novel pyridopyprimidinone derivatives which are HM74A agonists
  申请人：Conte Aurelia

  公开号：US20070275987A1

  公开（公告）日：2007-11-29

  The invention is concerned with novel pyridopyrimidinone derivatives of formula (I): wherein R 1 to R 8 , X, Y, m and n are as defined in the description and in the claims. The compounds of the present invention are HM74A agonists with improved properties compared to niacin and can be used for the treatment and/or prevention of diseases such as dyslipidemia, atherosclerosis, diabetes, metabolic syndrome, and other related diseases associated with HM74A.

  这项发明涉及式(I)的新型吡啶吡嘧啶酮衍生物：其中R1至R8、X、Y、m和n如描述和索赔中所定义。本发明的化合物是HM74A激动剂，与烟酸相比具有改进的性能，并可用于治疗和/或预防与HM74A相关的疾病，如脂质代谢异常、动脉粥样硬化、糖尿病、代谢综合征和其他与HM74A相关的疾病。