1-(4-bromo-2,5-dimethyl-phenyl)-3-chloro-propan-1-one | 246022-83-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-bromo-2,5-dimethyl-phenyl)-3-chloro-propan-1-one
• 英文别名: 1-(4-Bromo-2,5-dimethylphenyl)-3-chloro-1-propanone；1-(4-bromo-2,5-dimethylphenyl)-3-chloropropan-1-one
• CAS: 246022-83-3
• 化学式: C₁₁H₁₂BrClO
• 分子量: 275.573
• InChiKey: WSXTWPXNJICDSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4-bromo-2,5-dimethyl-phenyl)-3-chloro-propan-1-one 在 sodium tetrahydroborate 、 硫酸 作用下， 以 甲醇 、 乙二醇 为溶剂， 反应 3.75h， 生成 5-溴-4,7-二甲基茚
  参考文献：
  名称：

  Raposo, M. Manuela M.; Pereira, Alexandra M. B.; Oliveira-Campos, Ana M. F., Journal of Chemical Research, Miniprint, 1999, # 8, p. 1970 - 1979

  摘要：

  DOI：
• 作为产物：
  描述：

  甲苄基溴 、 3-氯丙酰氯 在 三氯化铝 作用下， 以 二硫化碳 为溶剂， 反应 16.0h， 生成 1-(4-bromo-2,5-dimethyl-phenyl)-3-chloro-propan-1-one
  参考文献：
  名称：

  吡唑并异喹啉形成的合成研究

  摘要：

  7-氨基-5,8-二甲基-6-（苯硫基）异喹啉的重氮化意外地导致形成新的环系统，即3 H-吡唑并[3,4- h ]异喹啉作为其5-甲基-6-苯硫基衍生物。在这项工作中，母环系统及其5-甲基，6-溴-5-甲基和5-甲基-6-苯硫基衍生物被合成和表征。探索了转化的机制。

  DOI：

  10.1016/s0040-4020(02)00587-2

文献信息

• Synthetic studies of the formation of pyrazoloisoquinolines
  作者：R Bryan Miller、Joseph G Stowell、Sundeep Dugar、Thomas E Moock、Christopher W Jenks、Steven C Farmer、Bach Phan、Chad E Wujcik、Marilyn M Olmstead

  DOI：10.1016/s0040-4020(02)00587-2

  日期：2002.7

  7-amino-5,8-dimethyl-6-(phenylthio)isoquinoline unexpectedly led to the formation of a new ring system, 3H-pyrazolo[3,4-h]isoquinoline as its 5-methyl-6-phenylthio derivative. In this work, the parent ring system was synthesized and characterized, along with its 5-methyl, 6-bromo-5-methyl, and 5-methyl-6-phenylthio derivatives. The mechanism for the transformation is explored.

  7-氨基-5,8-二甲基-6-（苯硫基）异喹啉的重氮化意外地导致形成新的环系统，即3 H-吡唑并[3,4- h ]异喹啉作为其5-甲基-6-苯硫基衍生物。在这项工作中，母环系统及其5-甲基，6-溴-5-甲基和5-甲基-6-苯硫基衍生物被合成和表征。探索了转化的机制。
• [EN] NEW COMPOUNDS SUITABLE AS CATALYSTS FOR POLYMERIZATION REACTIONS<br/>[FR] NOUVEAUX COMPOSÉS APPROPRIÉS EN TANT QUE CATALYSEURS POUR DES RÉACTIONS DE POLYMÉRISATION
  申请人：TOTAL RES & TECHNOLOGY FELUY

  公开号：WO2019048561A1

  公开（公告）日：2019-03-14

  The invention relates to a compound of formula (I) and a process for synthesizing said compound. The invention further relates to the use of said compound as a catalyst, preferably for polymerization, such as, olefin polymerization. The invention also relates to the polymers produced using said catalyst and articles comprising said polymers.

  该发明涉及一种化合物的公式(I)以及合成该化合物的方法。该发明还涉及将该化合物用作催化剂，优选用于聚合反应，例如烯烃聚合。该发明还涉及使用该催化剂生产的聚合物以及包含该聚合物的制品。
• [EN] HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN<br/>[FR] COMPOSÉS HÉTÉROARYLES POUR LE TRAITEMENT DE LA DOULEUR
  申请人：[en]VERTEX PHARMACEUTICALS INCORPORATED

  公开号：WO2023205778A1

  公开（公告）日：2023-10-26

  Compounds, and pharmaceutically acceptable salts thereof, useful as inhibitors of sodium channels are provided. Also provided are pharmaceutical compositions comprising the compounds or pharmaceutically acceptable salts and methods of using the compounds, pharmaceutically acceptable salts, and pharmaceutical compositions in the treatment of various disorders, including pain.
• [EN] COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES
  申请人：[en]CELGENE CORPORATION

  公开号：WO2024019957A1

  公开（公告）日：2024-01-25

  Provided herein are compounds and compositions thereof for modulating S1P5. In some embodiments, the compounds and compositions are provided for treatment of neurological diseases.
• Thiosemicarbazones derived from 1-indanones as new anti-Trypanosoma cruzi agents
  作者：María E. Caputto、Lucas E. Fabian、Diego Benítez、Alicia Merlino、Natalia Ríos、Hugo Cerecetto、Graciela Y. Moltrasio、Albertina G. Moglioni、Mercedes González、Liliana M. Finkielsztein

  DOI：10.1016/j.bmc.2011.09.037

  日期：2011.11

  In the present work, we synthesized a series of thiosemicarbazones derived from 1-indanones with good anti-Trypanosoma cruzi activity. Most of them displayed remarkable trypanosomicidal activity. All the compounds showed nonspecific cytotoxicity on human erythrocytes. The ability of the new compounds to inhibit cruzipain, the major cysteine protease of T. cruzi, was also explored. Thiosemicarbazones 12 and 24 inhibited this enzyme at the dose assayed. This interaction was also studied in terms of molecular docking. (C) 2011 Elsevier Ltd. All rights reserved.