1-((1-溴-3-氯丙烷-2-基氧基)甲基)苯 | 54307-67-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-((1-溴-3-氯丙烷-2-基氧基)甲基)苯
• 英文名称: 1-bromo-2-benzyloxy-3-chloropropane
• 英文别名: 1-chloro-2-benzyloxy-3-bromopropane；(((1-bromo-3-chloropropan-2-yl)oxy)methyl)benzene；(1-bromo-3-chloropropan-2-yl)oxymethylbenzene
• CAS: 54307-67-4
• 化学式: C₁₀H₁₂BrClO
• 分子量: 263.562
• InChiKey: BKTNVCYQDKDAQE-UHFFFAOYSA-N

物化性质

• 沸点：
  146-150 °C(Press: 5 Torr)
• 密度：
  1.412±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  1-((1-溴-3-氯丙烷-2-基氧基)甲基)苯 在 氢氧化钾 、 sodium hydride 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 生成 3-(benzyloxy)-1-carbethoxycyclobutane-1-carboxylic acid
  参考文献：
  名称：

  Diastereoselective Synthesis of Hydantoin- and Isoxazoline-Substituted Dispirocyclobutanoids

  摘要：

  Synthetic strategies for constructing novel achiral cyclobutanoid isoxazolidinoimidazolidinedione heterocycles, with a generalized structure of II, have been developed via 1,3-dipolar cycloaddition and carbanilide cyclization transformations from methylenecyclobutane 13. The exo methylene cyclobutane system has made the realization of some diasteroselectivity possible, such that the H-bond (Boc-NH) directed product (i.e., 14) was obtained with 3:1 selectivity relative to the non-H-bond directed product (i.e., 15).

  DOI：

  10.1021/jo000152c
• 作为产物：
  描述：

  溴甲苯 、 环氧氯丙烷 在 mercury dichloride 作用下， 反应 9.0h， 生成 1-((1-溴-3-氯丙烷-2-基氧基)甲基)苯
  参考文献：
  名称：

  一氧化氮供体基铂配合物作为潜在的抗癌药

  摘要：

  结合力：研究了含有有机硝酸盐配体的铂络合物作为抗癌剂。该复合物在水溶液中稳定，显示出优于相应母体化合物（卡铂）的细胞毒性，因此表明硝酸盐基配体释放一氧化氮的能力与铂的能力之间存在有趣的协同作用。抑制DNA合成的部分（请参阅方案）。

  DOI：

  10.1002/chem.201201605

文献信息

• Nitric Oxide Donor-Based Platinum Complexes as Potential Anticancer Agents
  作者：Jian Zhao、Shaohua Gou、Yanyan Sun、Runting Yin、Zhimei Wang

  DOI：10.1002/chem.201201605

  日期：2012.11.5

  complexes containing organic nitrate ligands were investigated as anticancer agents. The complexes, which were stable in aqueous solution, showed cytotoxicity that was superior to that of the corresponding parent compound (carboplatin), thus suggesting an interesting synergy between the ability of the nitrate‐based ligands to release nitric oxide and the ability of the platinum moiety to inhibit DNA synthesis

  结合力：研究了含有有机硝酸盐配体的铂络合物作为抗癌剂。该复合物在水溶液中稳定，显示出优于相应母体化合物（卡铂）的细胞毒性，因此表明硝酸盐基配体释放一氧化氮的能力与铂的能力之间存在有趣的协同作用。抑制DNA合成的部分（请参阅方案）。
• [EN] BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C<br/>[FR] DÉRIVÉS DE BENZOFURANE POUR LE TRAITEMENT DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2017165233A1

  公开（公告）日：2017-09-28

  The disclosure provides compounds of formula (I), including their salts, as well as compositions and methods of using the compounds. The compounds have activity against hepatitis C virus (HCV) and may be useful in treating those infected with HCV.

  本公开提供了公式(I)的化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物对丙型肝炎病毒(HCV)具有活性，可能对治疗HCV感染者有益。
• [EN] CYSTEINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE LA CYSTÉINE PROTÉASE
  申请人：MEDIVIR UK LTD

  公开号：WO2012172473A1

  公开（公告）日：2012-12-20

  Compounds of the formula (I) wherein One of A1 and A2 is N-CH3 and the other is CH; R1 is C1-C6alkyl, C1-C6haloalkyl, C3-C6cycloalkyl or oxetan-3-yl, wherein C3-C6cycloalkyl is optionally substituted with one, two or three fluoro or with CF3; R2a and R2b are independently selected from H, halo, C1-C4alkyl, C1-C4haloalkyl and C1- C4alkoxy; R3 is CH3 or F; n is 1, 2, 3 or 4; or a pharmaceutically acceptable salt, hydrate or N-oxide thereof for the use in the prophylaxis and/or treatment of a disorder characterised by inappropriate expression or activation of cathepsin S.

  式(I)的化合物，其中A1和A2中的一个是N-CH3，另一个是CH；R1是C1-C6烷基，C1-C6卤代烷基，C3-C6环烷基或氧杂环丙烷-3-基，其中C3-C6环烷基可选择地用一个、两个或三个氟代基或CF3取代；R2a和R2b分别选自H、卤素、C1-C4烷基、C1-C4卤代烷基和C1-C4烷氧基；R3是CH3或F；n为1、2、3或4；或其药学上可接受的盐、水合物或N-氧化物，用于预防和/或治疗由于cathepsin S的不适当表达或激活而表现出的疾病。
• AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS
  申请人：Rodgers James D.

  公开号：US20090233903A1

  公开（公告）日：2009-09-17

  The present invention relates to azetidine and cyclobutane derivatives, as well as their compositions, methods of use, and processes for preparation, which are JAK inhibitors useful in the treatment of JAK-associated diseases including, for example, inflammatory and autoimmune disorders, as well as cancer.

  本发明涉及吲哚啉和环丁烷衍生物，以及它们的组合物、使用方法和制备方法，这些JAK抑制剂在治疗JAK相关疾病中很有用，包括炎症性和自身免疫性疾病，以及癌症。
• COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS
  申请人：YEH Vince

  公开号：US20130059846A1

  公开（公告）日：2013-03-07

  The invention provides compounds and pharmaceutical compositions thereof, which are useful as protein kinase inhibitors, as well as methods for using such compounds to treat, ameliorate or prevent a condition associated with abnormal or deregulated kinase activity. In some embodiments, the invention provides methods for using such compounds to treat, ameliorate or prevent diseases or disorders that involve abnormal activation of c-kit or c-kit and PDGFR (PDGFRα, PDGFRβ) kinases.

  这项发明提供了化合物及其药物组合物，可用作蛋白激酶抑制剂，以及使用这些化合物治疗、改善或预防与异常或失调激酶活性相关的疾病的方法。在某些实施例中，该发明提供了使用这些化合物治疗、改善或预防涉及c-kit或c-kit和PDGFR（PDGFRα、PDGFRβ）激酶异常激活的疾病或紊乱的方法。