1-(苄氧基)-4-(丙-2-炔-1-基)苯 | 101911-57-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(苄氧基)-4-(丙-2-炔-1-基)苯
• 英文名称: 1-(benzyloxy)-4-(prop-2-yn-1-yl)benzene
• 英文别名: 1-(benzyloxy)-4-(prop-2-ynyl)benzene；3-(4-benzyloxyphenyl)propyne；1-phenylmethoxy-4-prop-2-ynylbenzene
• CAS: 101911-57-3
• 化学式: C₁₆H₁₄O
• 分子量: 222.287
• InChiKey: LPIGDNMBOUWSAZ-UHFFFAOYSA-N

物化性质

• 沸点：
  334.0±22.0 °C(Predicted)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 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-(苄氧基)-4-(丙-2-炔-1-基)苯 在 二氯二茂锆 、 三甲基铝 、 三乙胺 、 三氟乙酸酐 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 19.25h， 生成 (S,E)-4-(4-(benzyloxy)phenyl)-1-((R,E)-2-isocyanato-4-((1S,2S,5R)-2-isopropyl-5-methylcyclohexyl)-2-methylbut-3-enyl)-benzene
  参考文献：
  名称：

  Constraining the Side Chain of C-Terminal Amino Acids in Apelin-13 Greatly Increases Affinity, Modulates Signaling, and Improves the Pharmacokinetic Profile

  摘要：

  DOI：

  10.1021/acs.jmedchem.0c01941
• 作为产物：
  描述：

  4-苄氧基氯化苄 在 甲醇 、 copper(l) iodide 、 四丁基碘化铵 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 25.5h， 生成 1-(苄氧基)-4-(丙-2-炔-1-基)苯
  参考文献：
  名称：

  钯催化末端炔烃的尾对尾还原二聚反应生成 2,3-二支化丁二烯

  摘要：

  使用新戊酸和对甲苯磺酸的组合证明成功地有利于末端炔烃的选择性高度化学和区域选择性的尾对尾还原二聚化，而不是竞争性的头对尾二聚化途径。建议通过阳离子链烯基钯中间体进行的目标反应为获得 2,3-二支化丁二烯提供了一种简便直接的方法。

  DOI：

  10.1002/anie.202116870

文献信息

• Biarylphosphonite Gold(I) Complexes as Superior Catalysts for Oxidative Cyclization of Propynyl Arenes into Indan-2-ones
  作者：Guilhem Henrion、Thomas E. J. Chavas、Xavier Le Goff、Fabien Gagosz

  DOI：10.1002/anie.201301015

  日期：2013.6.10

  Striking gold: A series of variously functionalized propynyl arenes was smoothly converted into indan‐2‐ones by a new gold(I)‐catalyzed oxidative cyclization process. [LAu]NTf2 (Tf=trifluoromethanesulfonyl) is a superior catalyst both in terms of yield and kinetics for the present transformation.

  打击金：通过新的金（I）催化的氧化环化工艺，一系列功能化的丙炔基芳烃被顺利转化为茚满-2-酮。就本转化而言，就收率和动力学而言，[ L Au] NTf 2（Tf ＝三氟甲磺酰基）是优良的催化剂。
• PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME
  申请人：Tanaka Keigo

  公开号：US20090082403A1

  公开（公告）日：2009-03-26

  Anti-fungal agent having excellent anti-fungal action physicochemical properties including safety and water solubility. Compound represented by formula (I), or salt thereof: wherein R 1 represents hydrogen, halogen, amino, R 11 —NH— wherein R 11 represents C 1-6 alkyl, hydroxy C 1-6 alkyl, C 1-6 alkoxy C 1-6 alkyl, or C 1-6 alkoxycarbonyl C 1-6 alkyl, R 12 —(CO)—NH— wherein R 12 represents C 1-6 alkyl group or C 1-6 alkoxy C 1-6 alkyl, C 1-6 alkyl, hydroxy C 1-6 alkyl, cyano C 1-6 alkyl, C 1-6 alkoxy, or C 1-6 alkoxy C 1-6 alkyl or a phosphonoamino group; R 2 represents hydrogen, C 1-6 alkyl, amino, or a di C 1-6 alkylamino group or a phosphonoamino group; one of X and Y is nitrogen while the other is nitrogen or oxygen; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom or 1 or 2 C 1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, oxygen, sulfur, —CH 2 O—, —OCH 2 —, —NH—, —CH 2 NH—, —NHCH 2 —, —CH 2 S—, or —SCH 2 —; R 3 represents hydrogen or halogen or C 1-6 alkyl, C 3-8 cycloalkyl, C 6-10 aryl, a 5- or 6-member heteroaryl group or a 5- or 6-member nonaromatic heterocyclic group which may have 1 or 2 substituents; and R 4 represents hydrogen or halogen; provided that either R 1 or R 2 represents a phosphonoamino group.

  抗真菌剂具有优异的抗真菌作用物理化学性质，包括安全性和水溶性。化合物由式（I）表示，或其盐： 其中R1代表氢，卤素，氨基，R11—NH—其中R11代表C1-6烷基，羟基C1-6烷基，C1-6烷氧基C1-6烷基，或C1-6烷氧羰基C1-6烷基，R12—（CO）—NH—其中R12代表C1-6烷基或C1-6烷氧基C1-6烷基，C1-6烷基，羟基C1-6烷基，氰基C1-6烷基，C1-6烷氧基，或C1-6烷氧基C1-6烷基或磷酰氨基团；R2代表氢，C1-6烷基，氨基，或二C1-6烷基氨基团或磷酰氨基团；X和Y中的一个是氮，另一个是氮或氧；环A代表5-或6-成员杂芳基环或可能具有卤素原子或1或2个C1-6烷基基团的苯环；Z代表单键，亚甲基基团，乙烯基团，氧，硫，—CH2O—，—OCH2—，—NH—，—CH2NH—，—NHCH2—，—CH2S—，或—SCH2—；R3代表氢或卤素或C1-6烷基，C3-8环烷基，C6-10芳基，5-或6-成员杂芳基团或可能具有1或2个取代基的5-或6-成员非芳香杂环基；和R4代表氢或卤素；前提是R1或R2中的一个代表磷酰氨基团。
• Heterocycles substituted pyridine derivatives and antifungal agent containing thereof
  申请人：Tanaka Keigo

  公开号：US20070105904A1

  公开（公告）日：2007-05-10

  An object of the present invention is to provide an antifungal agent which has excellent antifungal effects and is superior in terms of its physical properties, safety and metabolic stability. According to the present invention, there is disclosed a compound represented by the following formula (I), or a salt thereof: wherein R 1 represents a hydrogen atom, a halogen atom, an amino group, a C 1-6 alkyl group, a C 1-6 alkoxy group or a C 1-6 alkoxy C 1-6 alkyl group; R 2 represents a hydrogen atom, a C 1-6 alkyl group, an amino group or a di C 1-6 alkylamino group; one of X and Y is a nitrogen atom while the other is a nitrogen atom or an oxygen atom; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom, or 1 or 2 C 1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, an oxygen atom, a sulfur atom, —CH 2 O—, —OCH 2 —, —NH—, —CH 2 NH—, —NHCH 2 —, —CH 2 S—, or —SCH 2 —; R 3 represents a hydrogen atom, a halogen atom, a C 1-6 alkyl group, a C 3-8 cycloalkyl group, a C 6-10 aryl group, a 5- or 6-member heteroaryl group, or 5- or 6-member non-aromatic heterocyclic group which may have 1 or 2 substituents; and R 4 represents a hydrogen atom or a halogen atom.

  本发明的一个目的是提供一种具有优异的抗真菌效果并在其物理性质、安全性和代谢稳定性方面优越的抗真菌剂。根据本发明，公开了以下式(I)所代表的化合物或其盐： 其中R1代表氢原子、卤素原子、氨基、C1-6烷基、C1-6烷氧基或C1-6烷氧基C1-6烷基；R2代表氢原子、C1-6烷基、氨基或二C1-6烷基氨基中的一个；X和Y中的一个是氮原子，另一个是氮原子或氧原子；环A代表一个5-或6-成员杂芳基环或可能具有卤素原子、1个或2个C1-6烷基的苯环；Z代表一个单键、一个亚甲基基、一个乙烯基、一个氧原子、一个硫原子、-CH2O-、-OCH2-、-NH-、-CH2NH-、-NHCH2-、-CH2S-或-SCH2-；R3代表氢原子、卤素原子、C1-6烷基、C3-8环烷基、C6-10芳基、一个5-或6-成员杂芳基、或可能具有1个或2个取代基的5-或6-成员非芳香杂环基；R4代表氢原子或卤素原子。
• HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF
  申请人：TANAKA Keigo

  公开号：US20120029023A1

  公开（公告）日：2012-02-02

  An object of the present invention is to provide an antifungal agent which has excellent antifungal effects and is superior in terms of its physical properties, safety and metabolic stability. According to the present invention, there is disclosed a compound represented by the following formula (I), or a salt thereof: wherein R 1 , R 2 , X, Y, ring A, Z, R 3 and R 4 are as defined in the specification.

  本发明的目的是提供一种具有优异的抗真菌效果且在物理性质、安全性和代谢稳定性方面优越的抗真菌剂。根据本发明，公开了下式（I）所表示的化合物或其盐：其中R1、R2、X、Y、环A、Z、R3和R4如规范中所定义。
• Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same
  申请人：Eisai R&D Managment Co., Ltd.

  公开号：US08183264B2

  公开（公告）日：2012-05-22

  The present invention provides an antifungal agent that has excellent antifungal action, and is also excellent in terms of its properties, safety, and metabolic stability. The present invention discloses a compound represented by the following formula I or a salt thereof, and an antifungal agent comprising the compound or the salt: wherein R1 represents a hydrogen atom, a halogen atom, an amino group, a C1-6 alkyl group, a C1-6 alkoxy group, or a C1-6-alkoxy-C1-6-alkyl group; R2 represents a hydrogen atom or an amino group; X, Y, Z, and W independently represent a nitrogen atom, an oxygen atom, a sulfur atom, or —CH—, provided that at least two among X, Y, and W are nitrogen atoms; the ring A represents a 5- or 6-membered heteroaryl ring or a benzene ring; Q represents a methylene group, an oxygen atom, —CH2O—, —OCH2—, —NH—, —NHCH2—, or —CH2NH—; and R3 represents a C1-6 alkyl group, a C3-8 cycloalkyl group, a C6-10 aryl group, or a 5- or 6-membered heteroaryl group, each of which may have one or two substituents.

  本发明提供了一种具有优异的抗真菌作用、性质、安全性和代谢稳定性的抗真菌剂。本发明披露了以下式I或其盐所代表的化合物，以及包含该化合物或其盐的抗真菌剂：其中R1表示氢原子、卤素原子、氨基、C1-6烷基、C1-6烷氧基或C1-6-烷氧基-C1-6-烷基；R2表示氢原子或氨基；X、Y、Z和W独立地表示氮原子、氧原子、硫原子或-CH-，其中至少有两个是氮原子；环A表示5-或6-成员杂环芳基环或苯环；Q表示亚甲基、氧原子、-CH2O-、-OCH2-、-NH-、-NHCH2-或-CH2NH-；R3表示C1-6烷基、C3-8环烷基、C6-10芳基或5-或6-成员杂环基，每个基团可以有一个或两个取代基。