1-溴-4-(2-氯丙烷-2-基)苯 | 14276-98-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-溴-4-(2-氯丙烷-2-基)苯
• 英文名称: 2-(4-bromophenyl)-2-chloropropane
• 英文别名: 2-(4'-Bromphenyl)-2-chlorpropan；4-Brom-phenyl-dimethylcarbinylchlorid；p-Brom-α-chlor-isopropylbenzol；2-(p-Bromphenyl)-2-chlorpropan；1-bromo-4-(α-chloro-isopropyl)-benzene；1-Brom-4-(α-chlor-isopropyl)-benzol；1-Bromo-4-(2-chloropropan-2-yl)benzene
• CAS: 14276-98-3
• 化学式: C₉H₁₀BrCl
• 分子量: 233.535
• InChiKey: IMKITPJLLSBCCR-UHFFFAOYSA-N

物化性质

• 沸点：
  265.6±15.0 °C(Predicted)
• 密度：
  1.396±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-溴-4-(2-氯丙烷-2-基)苯 在 吡啶 作用下， 以 乙腈 为溶剂， 生成 1-溴-4-丙-1-烯-2-基苯
  参考文献：
  名称：

  Balachandran; Santhosh Kumar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005, vol. 44, # 8, p. 1731 - 1734

  摘要：

  DOI：
• 作为产物：
  描述：

  2-羟基-2-(4-溴苯基)丙烷 在 盐酸 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 1-溴-4-(2-氯丙烷-2-基)苯
  参考文献：
  名称：

  Variable electronic properties of the CSNMe2 thioamide group

  摘要：

  The sigma-I value for the CSNMe2 group has been determined and the value of 0.23 indicates that this group is inductively electron withdrawing. The effect of the p-CSNMe2 group on the solvolysis rate of cumyl chloride has also been determined and, relative to the p-H analogue, this group has a negligible effect on rate. p-CSNMe2 substitution slows the hydrolysis rate of substituted benzaldehyde dimethyl acetals. p-CSNMe2 substitution enhances the solvolysis rate of ArCH(OMs)PO(OEt)2. These variable rate effects on reactions involving cationic intermediates have been interpreted in terms of variable electronic properties of the CSNMe2 group. This group can be cation stabilizing, electroneutral, or cation destabilizing, depending on the charge demands of specific cations. This is a result of a conjugative interaction of CSNMe2 with a cationic center and resultant delocalization of positive charge onto sulfur. The importance of such conjugation is a function of the amount of transition-state charge developed on the carbon bearing the CSNMe2 group. The electronic effects of the amphielectronic p-CSNMe2 group are compared to the more conventional effects of CONMe2 and the m-CSNMe2 analogues.

  DOI：

  10.1021/jo00013a038

文献信息

• HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF
  申请人：Japan Tobacco Inc.

  公开号：US20170057943A1

  公开（公告）日：2017-03-02

  The present invention provides a compound having an mPGES-1 inhibitory activity and useful for the prophylaxis or treatment of pain, rheumatism, osteoarthritis, fever, Alzheimer's disease, multiple sclerosis, arteriosclerosis, glaucoma, ocular hypertension, ischemic retinal disease, systemic scleroderma and/or cancer including colorectal cancer. The present invention relates to a compound of formula [I-a], [I-b] or [I-c] or a pharmaceutically acceptable salt thereof: wherein each symbol is as defined in the specification.

  本发明提供了一种具有mPGES-1抑制活性的化合物，用于预防或治疗疼痛、风湿病、骨关节炎、发热、阿尔茨海默病、多发性硬化症、动脉硬化、青光眼、眼压增高、缺血性视网膜疾病、全身性硬皮病和/或包括结直肠癌在内的癌症。本发明涉及具有化学式[I-a]、[I-b]或[I-c]的化合物或其药学上可接受的盐：其中每个符号如规范中所定义。
• HYDROXYTRIAZINE COMPOUND AND MEDICAL USE THEREOF
  申请人：Japan Tobacco, Inc.

  公开号：EP3339296A1

  公开（公告）日：2018-06-27

  The present invention provides a compound having an mPGES-1 inhibitory activity and useful for the prophylaxis or treatment of pain, rheumatism, osteoarthritis, fever, Alzheimer's disease, multiple sclerosis, arteriosclerosis, glaucoma, ocular hypertension, ischemic retinal disease, systemic scleroderma and/or cancer including colorectal cancer. The present invention relates to a compound of formula [I-a], [I-b] or [I-c] or a pharmaceutically acceptable salt thereof: wherein each symbol is as defined in the specification.

  本发明提供了一种具有mPGES-1抑制活性的化合物，可用于预防或治疗疼痛、风湿病、骨关节炎、发热、老年痴呆症、多发性硬化症、动脉硬化、青光眼、眼压过高、缺血性视网膜疾病、系统性硬皮病和/或癌症，包括结直肠癌。 本发明涉及式[I-a]、[I-b]或[I-c]化合物或其药学上可接受的盐： 其中各符号如说明书中所定义。
• Byrne, Christopher J.; Happer, Duncan A. R.; Hartshorn, Michael P., Journal of the Chemical Society. Perkin transactions II, 1987, p. 1649 - 1654
  作者：Byrne, Christopher J.、Happer, Duncan A. R.、Hartshorn, Michael P.、Powell, H. Kipton J.

  DOI：——

  日期：——
• Rates of Solvolysis of the Halophenyldimethylcarbinyl Chlorides. The Effect of Halogen Substituents upon the Rates of Electrophilic Reactions^1-3
  作者：Herbert C. Brown、Y. Okamoto、George Ham

  DOI：10.1021/ja01565a037

  日期：1957.4
• Variable electronic properties of the CSNMe2 thioamide group
  作者：Xavier Creary、Timothy Aldridge

  DOI：10.1021/jo00013a038

  日期：1991.6

  The sigma-I value for the CSNMe2 group has been determined and the value of 0.23 indicates that this group is inductively electron withdrawing. The effect of the p-CSNMe2 group on the solvolysis rate of cumyl chloride has also been determined and, relative to the p-H analogue, this group has a negligible effect on rate. p-CSNMe2 substitution slows the hydrolysis rate of substituted benzaldehyde dimethyl acetals. p-CSNMe2 substitution enhances the solvolysis rate of ArCH(OMs)PO(OEt)2. These variable rate effects on reactions involving cationic intermediates have been interpreted in terms of variable electronic properties of the CSNMe2 group. This group can be cation stabilizing, electroneutral, or cation destabilizing, depending on the charge demands of specific cations. This is a result of a conjugative interaction of CSNMe2 with a cationic center and resultant delocalization of positive charge onto sulfur. The importance of such conjugation is a function of the amount of transition-state charge developed on the carbon bearing the CSNMe2 group. The electronic effects of the amphielectronic p-CSNMe2 group are compared to the more conventional effects of CONMe2 and the m-CSNMe2 analogues.