1-苯氧基-2,2-二甲基丙烷 | 2189-88-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-苯氧基-2,2-二甲基丙烷
• 英文名称: 1-phenoxy-2,2-dimethylpropane
• 英文别名: neopentyl phenyl ether；Neopentyloxybenzol；2-Methyl-2-phenyoxymethyl-propan；Neopentyl-phenylaether；Neopentylphenylaether；Phenoxyneopentan；Ether, neopentyl phenyl；2,2-dimethylpropoxybenzene
• CAS: 2189-88-0
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: IUODYPVRVRQQHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-苯氧基-2,2-二甲基丙烷 以6%的产率得到
  参考文献：
  名称：

  HUANG, HSU-NAN;PERSICO, DANIEL F.;LAGOW, RICHARD J.;CLARK, LELAND C., J. ORG. CHEM., 53,(1988) N 1, 78-85

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Methyl-2-phenoxymethyl-1,3-bis-tosyloxy-propan 在 lithium aluminium tetrahydride 作用下， 生成 1-苯氧基-2,2-二甲基丙烷
  参考文献：
  名称：

  Seyden-Penne,J. et al., Bulletin de la Societe Chimique de France, 1965, p. 700 - 704

  摘要：

  DOI：

文献信息

• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] INHIBITEURS DE LA TYROSINE KINASE DE BRUTON
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015086636A1

  公开（公告）日：2015-06-18

  This application discloses compounds according to generic Formula (I): wherein all variables are defined as described herein, which inhibit Btk. The compounds disclosed herein are useful to modulate the activity of Btk and treat diseases associated with excessive Btk activity. The compounds are useful for the treatment of oncological, auto-immune, and inflammatory diseases caused by aberrant B-cell activation. Also disclosed are compositions containing compounds of Formula I and at least one carrier, diluent or excipient.

  该应用程序根据通用公式（I）披露化合物：其中所有变量的定义如本文所述，这些化合物抑制Btk。本文披露的化合物对调节Btk的活性并治疗与过度Btk活性相关的疾病有用。这些化合物对于治疗由异常B细胞活化引起的肿瘤学、自身免疫和炎症性疾病是有用的。还披露了含有公式I化合物和至少一种载体、稀释剂或赋形剂的组合物。
• The chemistry of pentavalent organobismuth reagents. Part 8. Phenylation and oxidation of alcohols by tetraphenylbismuth esters
  作者：Derek H. R. Barton、Jean-Pierre Finet、William B. Motherwell、Clotilde Pichon

  DOI：10.1039/p19870000251

  日期：——

  Tetraphenylbismuth trifluoroacetate under neutral or slightly acidic conditions O-phenylates primary alcohols in reasonable (65–75%) yield, but gives only moderate yields with secondary alcohols and no O-phenylation with tertiary alcohols. An SN2 type mechanism is proposed with attack of oxygen on aryl carbon. In contrast, the reaction of BiV reagents with alcohols under basic conditions gives, exclusively

  下中性或微酸性条件Tetraphenylbismuth三氟ö -phenylates在合理（65-75％）产率的伯醇，但只给出中等产率与仲醇和没有ö -phenylation与叔醇。提出了一种S N 2型机理，其中氧攻击芳基碳。相反，在碱性条件下，Bi V试剂与醇的反应通常仅以苯作为离去基团进行氧化。使用核磁共振光谱已通过几种不同方式证明了具有铋-氧键的Bi V中间体的存在。因此，醇与Bi V试剂的反应与相应的与酚的反应平行。
• [EN] EP1 RECEPTOR LIGANDS<br/>[FR] LIGANDS DU RÉCEPTEUR EP1
  申请人：ESTEVE LABOR DR

  公开号：WO2013037960A1

  公开（公告）日：2013-03-21

  The present invention belongs to the field of EP1 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP1 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP1 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP1受体配体领域。更具体地，它涉及具有对EP1受体具有很高亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备方法，以及它们作为治疗和/或预防由EP1受体介导的疾病或紊乱的药物的用途，以及包含它们的药物组合物。
• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20130183269A1

  公开（公告）日：2013-07-18

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle
  申请人：Sekiguchi Yoshinori

  公开号：US20080318923A1

  公开（公告）日：2008-12-25

  It is intended to provide a drug which is efficacious against pathological conditions relating to arginine-vasopressin V1b receptor. More particularly speaking, it is intended to provide a drug which has a therapeutic or preventive effect on depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorders, hypertension, digestive diseases, drug addiction, epilepsy, brain infarction, brain ischemia, brain edema, head injury, inflammation, immune diseases, alopecia and so on. As the results of intensive studies, a novel 1,3-dihydro-2H-indol-2-one compound and a pyrrolidin-2-one compound fused with a heteroaromatic ring, which are highly selective antagonists of arginine-vasopressin V1b receptor, have high metabolic stabilities and show favorable brain penetration and high plasma concentrations, are found, thereby achieving the above objective.

  旨在提供一种对与精氨酸加压素V1b受体相关的病理状况具有疗效的药物。更具体地说，旨在提供一种对抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、消化系统疾病、药物成瘾、癫痫、脑梗死、脑缺血、脑水肿、头部损伤、炎症、免疫疾病、脱发等具有治疗或预防作用的药物。经过深入研究，发现了一种新颖的1,3-二氢-2H-吲哚-2-酮化合物和与杂芳环融合的吡咯烷-2-酮化合物，它们是高度选择性的精氨酸加压素V1b受体拮抗剂，具有高代谢稳定性，表现出有利的血脑屏障穿透和高血浆浓度，从而实现了上述目标。