1-(4-异丙氧基苯基)-1-丙酮 | 35081-48-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(4-异丙氧基苯基)-1-丙酮
• 中文别名: 1-(4-异丙氧芬基)丙-1-酮
• 英文名称: 1-(4-isopropoxyphenyl)propan-1-one
• 英文别名: 1-(4-propan-2-yloxyphenyl)propan-1-one
• CAS: 35081-48-2
• 化学式: C₁₂H₁₆O₂
• mdl: MFCD02176649
• 分子量: 192.258
• InChiKey: UQVJVUWEYMWXOL-UHFFFAOYSA-N

物化性质

• 沸点：
  297.8±13.0 °C(Predicted)
• 密度：
  0.986±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2914509090

反应信息

• 作为反应物：
  描述：

  1-(4-异丙氧基苯基)-1-丙酮 在 溴 作用下， 生成 2-Brom-1-(4-isopropoxyphenyl)-1-propanon
  参考文献：
  名称：

  5-Aryl-imidazolin-2-ones as a scaffold for potent antioxidant and memory-improving activity

  摘要：

  A series of 5-phenyl-substituted-N-alkyl-imidazolin-2-ones with potent radical-scavenging activity and lipid peroxidation inhibitory activity was synthesized. Many of the compounds showed memory-improving effect in animal models independent of the inhibitory activity on lipid peroxidation. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.064
• 作为产物：
  描述：

  4-Isopropoxy-thiobenzoic acid S-ethyl ester 、 ethane,iodozinc(1+) 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 甲苯 为溶剂， 反应 0.12h， 以98%的产率得到1-(4-异丙氧基苯基)-1-丙酮
  参考文献：
  名称：

  钯催化硫醇酯与有机锌试剂的新型酮合成

  摘要：

  通过乙硫醇酯与有机锌试剂的钯催化反应已制备了多种酮。包括酯，酮，芳族卤化物和醛在内的各种官能团可耐受反应条件。该反应也可用于使用相应的L-α-氨基硫醇酯而无需外消旋作用的合成α-氨基酮。

  DOI：

  10.1016/s0040-4039(98)00456-0

文献信息

• Chiral Dienes as “Ligands” for Borane-Catalyzed Metal-Free Asymmetric Hydrogenation of Imines
  作者：Yongbing Liu、Haifeng Du

  DOI：10.1021/ja4025808

  日期：2013.5.8

  This paper describes a highly enantioselective metal-free hydrogenation of imines using chiral dienes as "ligands" for the generation of catalysts with HB(C6F5)2 by hydroboration in situ to furnish a variety of chiral amines with up to 89% ee, which provides a practical strategy for the development of novel chiral frustrated Lewis pairs for asymmetric hydrogenation.

  本文描述了使用手性二烯作为“配体”对亚胺进行高度对映选择性的无金属氢化，通过原位硼氢化反应生成具有 HB(C6F5)2 的催化剂，以提供各种手性胺，其 ee 高达 89%，从而提供开发用于不对称氢化的新型手性受阻路易斯对的实用策略。
• Schmid,G.H.; Nowlan,V.J., Canadian Journal of Chemistry, 1976, vol. 54, p. 695 - 702
  作者：Schmid,G.H.、Nowlan,V.J.

  DOI：——

  日期：——
• 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication
  申请人：Bonfanti Jean-Francois

  公开号：US20080146564A1

  公开（公告）日：2008-06-19

  Novel 1,3-dihydro-benzimidazol-2-ylidene amine derivatives of formula the addition salts and stereochemically isomeric forms wherein each Alk is C 1-6 alkanediyl; Q is hydrogen; C 1-6 alkyl substituted with one or two Ar 2 radicals; CI 1-6 alkyl substituted with quinolinyl, oxazolidinyl, thiazolidinyl, morpholinyl, thiomorpholinyl, or with pyrrolidinonyl; —CO—Ar 2 ; or Q is a radical of formula wherein t is 1, 2 or 3; R 4 is amino, mono- or di(C 1-6 alkyl)amino; R 1 is Ar 2 , —CO—Ar 2 or a monocyclic or bicyclic heterocycle which may optionally be substituted; R 2 is as R 1 and additionally can be hydrogen; where Q is other than hydrogen, R 3 is hydrogen; and where Q is other than hydrogen, R 3 is a radical: wherein R 6 is hydrogen, C 1-6 alkyl, substituted C 1-6 alkyl; R 7 , R 8 , R 9 are halo, cyano, C 1-6 alkyl, substituted C 1-6 alkyl, C 2-6 alkenyl, cyanoC 2-6 alkenyl, C 2-6 alkynyl, cyanoC 2 6 alkynyl, Ar 1 , R 10a —0—, R 10a —S—, —N(R 5a R 5b ), R 10a —O—C(═O)—, N(R 5a R 5b )—C(═O)—, R 10a —C(═O)—NR 5b 1', R 10b —C(═O)—O—; and R 8 and/or R 9 may also be hydrogen; which are RSV inhibitors. Compositions containing these compounds and processes for preparing these compounds and compositions.
• US4474977A
  申请人：——

  公开号：US4474977A

  公开（公告）日：1984-10-02
• US7645771B2
  申请人：——

  公开号：US7645771B2

  公开（公告）日：2010-01-12