2-sec-butylbenzofuran | 39178-61-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2-sec-butylbenzofuran
• 英文别名: 2-(1-Methylpropyl)benzofuran；2-butan-2-yl-1-benzofuran
• CAS: 39178-61-5
• 化学式: C₁₂H₁₄O
• 分子量: 174.243
• InChiKey: GGTSLQHBJHTOHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (E)-2-(3-methylpent-1-enyl)phenol 在 叔丁基过氧化氢 、 bis(acetylacetonate)oxovanadium 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 2-sec-butylbenzofuran
  参考文献：
  名称：

  新型高度区域选择性VO（acac）2 / TBHP介导的邻烯基苯酚氧化为邻羟基苄基酮。

  摘要：

  从邻烯基苯酚开始，并基于VO（acac）（2）/ TBHP（2 mol％/ 1.2 equiv）系统描述了一种新颖的温和方法，用于制备邻羟基苄基酮。VO（acac）（2）首先催化邻烯基酚的环氧化，然后通过选择性苄基CO裂解和1,2氢化物迁移将环氧酚重排为酮。该方案也已被应用来在中间体邻羟基苄基酮的生成之后，通过顺序添加TFA来建立有用且容易的一锅法将邻烯基苯酚转化为苯并[b]呋喃。

  DOI：

  10.1021/jo026783j

文献信息

• Catalytic protodeboronation of pinacol boronic esters: formal anti-Markovnikov hydromethylation of alkenes
  作者：Florian Clausen、Marvin Kischkewitz、Klaus Bergander、Armido Studer

  DOI：10.1039/c9sc02067e

  日期：——

  Pinacol boronic esters are highly valuable building blocks in organic synthesis. In contrast to the many protocols available on the functionalizing deboronation of alkyl boronic esters, protodeboronation is not well developed. Herein we report catalytic protodeboronation of 1°, 2° and 3° alkyl boronic esters utilizing a radical approach. Paired with a Matteson–CH2–homologation, our protocol allows

  频哪醇硼酸酯是有机合成中非常有价值的组成部分。与可用于烷基硼酸酯的功能化脱硼的许多方案相反，原脱硼没有得到很好的开发。在本文中，我们报道了利用自由基方法对1°，2°和3°烷基硼酸酯进行催化原脱硼。结合Matteson–CH 2 –同源性，我们的方案允许进行正式的反马尔可夫尼可夫烯氢甲基化反应，这是一种有价值的但未知的转化。将氢甲基化序列应用于甲氧基保护的（-）-Δ8-THC和胆固醇。原脱硼硼烷进一步用于δ-（R）-可卡因和吲哚并立定209B的正式全合成中。
• 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：Fujii Akihito

  公开号：US20120059012A1

  公开（公告）日：2012-03-08

  Disclosed is a compound represented by Formula (I) or a pharmaceutically acceptable salt thereof: wherein R 1 is 1: a C 3-8 cycloalkyl C 1-4 alkyl group, 2: a C 7-14 aralkyl group, in which the aryl moiety thereof is optionally substituted with the same or different 1 to 3 groups selected from the group consisting of: (a) halogen, (b) C 1-4 alkyl, which is optionally substituted with 1 to 3 fluorine atoms, (c) C 1-4 alkoxy, which is optionally substituted with 1 to 3 fluorine atoms, and (d) C 1-4 alkylcarbonyl, which is optionally substituted with C 1-4 alkoxy, 3: a five- to ten-membered heteroaryl-C 1-4 alkyl group, in which the heteroaryl moiety thereof is optionally substituted with the same or different 1 to 3 groups selected from the group consisting of: (a) halogen, and (b) C 1-4 alkyl, or 4: a C 6-10 aryl C 2-6 alkenyl group; and R 2 is a cyano group or a nitro group.

  揭示了由化学式（I）表示的化合物或其药学上可接受的盐：其中R1是1：C3-8环烷基C1-4烷基基团，2：C7-14芳基烷基基团，其中其芳基部分可选择性地取代为来自以下组成的1至3个相同或不同的基团：(a)卤素，(b)C1-4烷基，可选择性地取代为1至3个氟原子，(c)C1-4烷氧基，可选择性地取代为1至3个氟原子，和(d)C1-4烷基羰基，可选择性地取代为C1-4烷氧基，3：五元至十元杂芳基-C1-4烷基基团，其中其杂芳基部分可选择性地取代为来自以下组成的1至3个相同或不同的基团：(a)卤素，和(b)C1-4烷基，或4：C6-10芳基C2-6烯基基团；和R2是氰基或硝基基团。
• COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS
  申请人：Rosse Gerard

  公开号：US20100234356A1

  公开（公告）日：2010-09-16

  The present invention relates to compounds useful as Chemokine Receptor antagonists. Compounds of general formula I are provided: or pharmaceutically acceptable salts thereof. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compounds and compositions for the inhibition of Chemokine Receptors and also for the treatment of various diseases, conditions, or disorders, including acute or chronic inflammatory disease, cancer, and osteolytic bone disorders.

  本发明涉及作为趋化因子受体拮抗剂有用的化合物。提供了一般式I的化合物:或其药学上可接受的盐。该发明还提供了包含所述化合物的药学上可接受的组合物以及使用该化合物和组合物抑制趋化因子受体并治疗各种疾病、状况或障碍的方法，包括急性或慢性炎症性疾病、癌症和骨溶解性骨疾病。
• PARENTERAL DOSAGE FORM OF AMIODARONE
  申请人：Sun Pharmaceutical Industries Ltd

  公开号：EP3000461A1

  公开（公告）日：2016-03-30

  The present invention relates to a stable, sterile, ready to administer parenteral dosage form of amiodarone or its pharmaceutically acceptable salt. Particularly, the present invention provides a stable, sterile, ready to administer parenteral dosage form of amiodarone comprising an aqueous solution comprising amiodarone or its pharmaceutically acceptable salt, an acid, and a polyol, wherein the pH of the solution is in the range of about 2.0 to 4.0, wherein the solution is filled in a plastic container and wherein the solution is free of a solubilizer.

  本发明涉及一种稳定、无菌、可随时给药的胺碘酮或其药学上可接受的盐的肠外剂型。特别是，本发明提供了一种稳定、无菌、可随时给药的胺碘酮肠外剂型，该剂型包括一种水溶液，该水溶液由胺碘酮或其药学上可接受的盐、一种酸和一种多元醇组成，其中溶液的 pH 值在约 2.0 至 4.0 之间，溶液灌装在塑料容器中，溶液中不含增溶剂。
• NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR ENHANCING ANTICANCER ACTIVITY
  申请人：Holosmedic

  公开号：EP3903786A1

  公开（公告）日：2021-11-03

  The present invention relates to a novel compound and a pharmaceutical composition for enhancing anticancer activity, which includes the same, and more particularly, to a pharmaceutical composition, which includes a compound represented by Formula 1 or a pharmaceutically acceptable salt thereof, thereby enhancing anticancer activity of an anticancer agent or radiation, and inducing proliferation inhibition and death of cancer cells, resulting in effectively treating cancer: In Formula 1, n is an integer of 0 to 4; R1 is hydrogen, C1 to C10 alkyl or aryl(C1 to C4)alkyl; R3 is C1 to C6 alkyl, and when there are a plurality of the R3, the R3s are the same or different; L1 is a direct bond, or C1 to C6 alkylene; R2 is hydrogen, C1 to C10 alkyl or aryl(C1 to C4)alkyl, and R4 is hydrogen, C1 to C4 alkyl, C3 to C8 cycloalkyl or aryl(C1 to C4)alkyl, or R2 and R4 are connected to form a 4 to 7-membered ring; and the alkyl of R1 to R4, the arylalkyl of R1, R2 and R4, the cycloalkyl of R4, the alkylene of L1 are each independently unsubstituted or substituted with a substituent such as a C1 to C6 alkyl group, a halo group, an aryl group, a haloalkyl group, a nitro group, a cyano group, an alkylthio group or an arylalkylthio group, and when the compound is substituted with a plurality of substituents, the substituents are the same or different.

  本发明涉及一种新型化合物和一种增强抗癌活性的药物组合物，其中包括相同的化合物，更具体地说，涉及一种药物组合物，其中包括式 1 所代表的化合物或其药学上可接受的盐，从而增强抗癌剂或辐射的抗癌活性，诱导癌细胞增殖抑制和死亡，从而有效治疗癌症： 在式 1 中 n 是 0 至 4 的整数； R1是氢、C1～C10烷基或芳基（C1～C4）烷基；R3是C1～C6烷基，当R3有多个时，R3相同或不同； L1 是直接键，或 C1 至 C6 亚烷基；R2 是氢、C1 至 C10 烷基或芳基（C1 至 C4）烷基，R4 是氢、C1 至 C4 烷基、C3 至 C8 环烷基或芳基（C1 至 C4）烷基，或 R2 和 R4 连接形成 4 至 7 元环；以及 R1 至 R4 的烷基，R1、R2 和 R4 的芳烷基，R4 的环烷基，L1 的亚烷基各自独立地未被取代或被取代基取代，如 C1 至 C6 烷基、卤代基团、芳基、卤代烷基、硝基、氰基、烷硫基或芳烷硫基，当化合物被多个取代基取代时，取代基相同或不同。