2-isobutyrylbenzophenone | 61765-21-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-isobutyrylbenzophenone
• 英文别名: 1-Propanone, 1-(2-benzoylphenyl)-2-methyl-；1-(2-benzoylphenyl)-2-methylpropan-1-one
• CAS: 61765-21-7
• 化学式: C₁₇H₁₆O₂
• 分子量: 252.313
• InChiKey: FJRHQFJCKGUAME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-[2-(benzyloxy)phenyl]-2-methylpropan-1-one 以 苯 为溶剂， 反应 0.58h， 生成 2-isobutyrylbenzophenone 、 cis-3-hydroxy-3-isopropyl-2-phenyl-2,3-dihydrobenzo[b]furan
  参考文献：
  名称：

  光环化反应。第7部分†。α-（2-酰基苯氧基）甲苯和2-酰基苯氧基乙酸乙酯的光环化反应在二氢苯并呋喃醇合成中的溶剂和取代基效应

  摘要：

  在三种极性不同的溶剂（苯，乙腈和甲醇）中，对α-（2-酰基苯氧基）甲苯1a-e和2-酰基苯氧基乙酸酯2a-e进行光环化反应，以检查溶剂和取代基对1环化的影响，是二氢苯并呋喃醇的5-双自由基中间体。在苯中辐照1a-e可以选择性地以14-84％的收率与重排的产物2-酰基二苯甲酮5b-d（23-39％）一起产生顺式-二氢苯并呋喃醇顺式4b-e。La-e在乙腈或甲醇中的光环化反应生成eis-和反式-二氢苯并呋喃醇4a-e的混合物产率为28-81％，少量的2-酰基二苯甲酮5b-c产率为6-12％。在极性乙腈或甲醇中，二氢苯并呋喃醇的顺式和反式立体选择性降低。立体选择性的降低归因于1，5-双自由基的羟基与溶剂之间的分子间氢键。另一方面，在苯中的酯2a-e的辐射选择性地以48-74％的产率提供了顺式-二氢苯并呋喃醇顺式-13a -e。类似地，2a-e在乙腈或甲醇中的光环化反应以相当高的收率产生了二氢苯并

  DOI：

  10.1002/jhet.5570340634

文献信息

• Hepatitis C Virus Inhibitors
  申请人：Bachand Carol

  公开号：US20080050336A1

  公开（公告）日：2008-02-28

  The present disclosure relates to compounds, compositions and methods for the treatment of hepatitis C virus (HCV) infection. Also disclosed are pharmaceutical compositions containing such compounds and methods for using these compounds in the treatment of HCV infection.

  本公开涉及化合物、组合物和治疗丙型肝炎病毒（HCV）感染的方法。还公开了含有这些化合物的药物组合物以及使用这些化合物治疗HCV感染的方法。
• HEPATITIS C VIRUS INHIBITORS
  申请人：Bachand Carol

  公开号：US20090068140A1

  公开（公告）日：2009-03-12

  The present disclosure relates to compounds, compositions and methods for the treatment of hepatitis C virus (HCV) infection. Also disclosed are pharmaceutical compositions containing such compounds and methods for using these compounds in the treatment of HCV infection.

  本公开涉及化合物、组合物和治疗丙型肝炎病毒（HCV）感染的方法。还揭示了含有这些化合物的制药组合物和使用这些化合物治疗HCV感染的方法。
• Novel peptides as NS3-serine protease inhibitors of hepatitis C virus
  申请人：Saksena K. Anil

  公开号：US20070032433A1

  公开（公告）日：2007-02-08

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

  本发明揭示了具有HCV蛋白酶抑制活性的新化合物，以及制备这些化合物的方法。在另一种实施方式中，本发明揭示了包含这些化合物的药物组合物，以及使用它们治疗与HCV蛋白酶相关的疾病的方法。
• NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS
  申请人：Saksena Anil K.

  公开号：US20110117057A1

  公开（公告）日：2011-05-19

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

  本发明披露了具有HCV蛋白酶抑制活性的新化合物，以及制备这些化合物的方法。在另一种实施方式中，本发明披露了包含这些化合物的制药组合物，以及使用它们治疗与HCV蛋白酶相关的疾病的方法。
• POLYCYCLIC PHOTOINITIATORS
  申请人：IGM Mailta Limited

  公开号：US20170240755A1

  公开（公告）日：2017-08-24

  Compounds of the formula (I) (I), wherein X is O, S, a direct bond or CR 16 R 17 ; Y is O or S; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 for example are hydrogen, halogen, C 1 -C 4 alkyl, or a group of formula (II) or (III) (II) (III) provided that either (i) one of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 or R 8 is a group of formula (II) or (III); or (ii) one of R 1 , R 2 , R 3 Or R 4 is a group of formula (II) or (III) and one of R 5 , R 6 , R 7 or R 8 is a group of formula (II) or (III); R 9 and R 10 independently of each other are C 1 -C 4 alkyl or together with the C atom to which they are attached form a 5-membered, 6-membered or 7-membered carbocyclic ring; R 11 is hydrogen, C 1 -C 4 alkyl, C 5 -C 7 cycloalkyl, 2-tetrahydropyranyl or Si(C 1 -C 4 alkyl) 3 ; R 12 and R 13 for example are C 1 -C 4 alkyl, C 2 -C 2 alkenyl, phenyl-C 1 -C 4 alkyl, phenyl-C 1 -C 4 alkyl which is substituted by C 1 -C 4 alkyl, R 14 and R 15 independently of each other are C 1 -C 4 alkyl, C 5 -C 7 cycloalkyl, or together with the N atom to which they are attached form a 5-membered, 6-membered or 7-membered ring, which may contain additional heteroatoms O, S or N; R 16 and R 17 for example are hydrogen, C 1 -C 5 alkyl, C 5 -C 7 cycloalkyl, phenyl-C 1 -C 4 alkyl, phenyl; are effective photoinitiators.