3-chloro-4-isopropylbenzaldehyde | 40891-34-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-chloro-4-isopropylbenzaldehyde
• 英文别名: 3-chloro-4-propan-2-ylbenzaldehyde
• CAS: 40891-34-7
• 化学式: C₁₀H₁₁ClO
• 分子量: 182.65
• InChiKey: SPLVTKZORDUZBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  2,5-二甲基苄氯 、 3-chloro-4-isopropylbenzaldehyde 、 、 1-(3-Chloro-4-isopropyl-phenyl)-2-(2,5-dimethyl-phenyl)-ethanol 在 palladium on activated charcoal 碘 、 magnesium 、 硫酸 、 溶剂黄146 、 氢气 作用下， 以 乙醚 、 溶剂黄146 、 乙醇 为溶剂， 反应 1.34h， 生成 1-(2,5-dimethylphenyl)-2-(3-chloro-4-isopropylphenyl)ethane
  参考文献：
  名称：

  Synthesis of chlorinated alkylbibenzyls and 9-chlororetene

  摘要：

  The synthesis of chlorinated alkylbibenzyls and 9-chlororetene is described. These compounds were sythesized for use as model compounds in analytical and toxicological characterization. The structures of the synthesized model compounds found to be very similar to those identified in pulp mill effluent and products. The H-1 NMR and mass spectral data for the compounds are also reported.

  DOI：

  10.1016/0045-6535(94)00445-z
• 作为产物：
  描述：

  1,1-diacetoxy-1-(4-i-propylphenyl)methane 、 乙酸酐 、 4-异丙基苯甲醛 在 硫酸 、 氢氧化钾 、 sodium acetate 、 氯 作用下， 以 乙酸酐 、 溶剂黄146 为溶剂， 反应 1.5h， 以1.5 g的产率得到3-chloro-4-isopropylbenzaldehyde
  参考文献：
  名称：

  Synthesis of chlorinated alkylbibenzyls and 9-chlororetene

  摘要：

  The synthesis of chlorinated alkylbibenzyls and 9-chlororetene is described. These compounds were sythesized for use as model compounds in analytical and toxicological characterization. The structures of the synthesized model compounds found to be very similar to those identified in pulp mill effluent and products. The H-1 NMR and mass spectral data for the compounds are also reported.

  DOI：

  10.1016/0045-6535(94)00445-z

文献信息

• Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same
  申请人：——

  公开号：US20030008951A1

  公开（公告）日：2003-01-09

  Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials are provided. More particularly, this invention relates to certain alkyl (or alkoxy) substituted halo-benzylidene sorbitol acetals and polymer compositions thereof which may be utilized within, as merely examples, food or cosmetic containers and packaging. These inventive halogenated (that is, chlorinated, brominated, or iodinated) and alkylated benzylidene sorbitol acetals are also useful as gelling agents for water and organic solvents, particularly those used in the preparation of antiperspirant gel sticks.

  提供了作为成核剂有用的塑料添加剂，特别是用于改善聚合材料光学性能的添加剂。更具体地说，本发明涉及某些烷基（或烷氧基）取代的卤代苯甲醛山梨醇缩醛及其聚合物组合物，可以在食品或化妆品容器和包装中使用。这些创新的卤代（即氯化，溴化或碘化）和烷基化苯甲醛山梨醇缩醛还可用作水和有机溶剂的凝胶剂，特别是用于制备止汗凝胶棒的溶剂。
• NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO
  申请人：DYCK Brian

  公开号：US20110166116A1

  公开（公告）日：2011-07-07

  New compounds are disclosed which have utility in the treatment of a variety of metabolic related conditions in a patient. The compounds of this invention have the structure (I): wherein R 1 , R 2 , R 3 , n, p, q, and Ar are as defined herein, including stereoisomers, and pharmaceutically acceptable salts thereof. Also disclosed are pharmaceutical compositions comprising a compound of this invention, as well as methods relating to the use thereof in a patient in need thereof.

  本发明披露了一种新化合物，其在治疗患者的各种代谢相关疾病方面具有用途。本发明的化合物具有结构（I）：其中R1、R2、R3、n、p、q和Ar的定义如本文所述，包括立体异构体和药物可接受的盐。本发明还披露了包括本发明化合物的制药组合物，以及与在需要时使用该化合物的相关方法。
• NOVEL SYMMETRICAL SUBSTITUTED BENZALDEHYDE ALDITOL DERIVATIVES AND COMPOSITIONS AND ARTICLES CONTAINING SAME
  申请人：Milliken & Company

  公开号：EP1425342A2

  公开（公告）日：2004-06-09
• EP1425342A4
  申请人：——

  公开号：EP1425342A4

  公开（公告）日：2005-01-05
• US6547988B2
  申请人：——

  公开号：US6547988B2

  公开（公告）日：2003-04-15