3-(4-异丙基苯)丙-1-胺 | 165736-01-6

• 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
• 中文名称: 3-(4-异丙基苯)丙-1-胺
• 中文别名: 3-(4-异丙基苯)-1-丙胺
• 英文名称: 3-(4-isopropyl-phenyl)-propylamine
• 英文别名: 1-(γ-Amino-propyl)-4-isopropyl-benzol；γ-(4-Isopropyl-phenyl)-propylamin；3-Amino-1-(4-isopropyl-phenyl)-propan；3-(4-Isopropylphenyl)propan-1-amine；3-(4-propan-2-ylphenyl)propan-1-amine
• CAS: 165736-01-6
• 化学式: C₁₂H₁₉N
• mdl: MFCD07374082
• 分子量: 177.29
• InChiKey: RNWADJRXWKNYLC-UHFFFAOYSA-N

物化性质

• 沸点：
  267.0±19.0 °C(Predicted)
• 密度：
  0.920±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-异丙基苯)丙-1-胺 在 盐酸 作用下， 生成 N-[3-(4-isopropyl-phenyl)-propyl]-glycine ; hydrochloride
  参考文献：
  名称：

  v. Braun; Wirz, Chemische Berichte, 1927, vol. 60, p. 110

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 、 sodium 作用下， 生成 3-(4-异丙基苯)丙-1-胺
  参考文献：
  名称：

  v. Braun; Wirz, Chemische Berichte, 1927, vol. 60, p. 110

  摘要：

  DOI：

文献信息

• TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS
  申请人：Saint Louis University

  公开号：US20210024489A1

  公开（公告）日：2021-01-28

  Disclosed herein are methods for treating neuropathic pain in a subject in need thereof. The methods include: administering to a subject in need thereof a therapeutically effective amount of an antagonist of P2Y14.

  本文公开了治疗神经病理性疼痛的方法，包括向需要的受试者施用P2Y14的拮抗剂的治疗有效量。
• Scale-up process of bifunctionalized triblock copolymers with secondary and tertiary amines, with application in dewatering and desalting of heavy crude oils
  申请人：INSTITUTO MEXICANO DEL PETROLEO

  公开号：US10125226B2

  公开（公告）日：2018-11-13

  A chemical synthesis process is provided for the functionalization of monodispersed triblock copolymer (POEw-POPy-POEw) with secondary or tertiary amines at a semi-industrial level in glass reactors having a capacity between 1 L and 100 L. The process includes two stages where the first stage uses an alkylsulfonyl or arylsulfonyl chloride to obtain better leaving groups, and the second stage is the nucleophilic substitution with secondary or tertiary amines, to obtain the bifunctionalized triblock copolymers. The main advantage for this process is to reduce the quantity of unitary process done in each stage, the optimization of reaction times, and the stoichiometric relationships.

  该工艺包括两个阶段，第一阶段使用烷基磺酰氯或芳基磺酰氯获得更好的离去基团，第二阶段使用仲胺或叔胺进行亲核取代，从而获得双官能化的三嵌段共聚物。这种工艺的主要优点是减少了每个阶段的单一过程，优化了反应时间和化学计量关系。
• Radical chlorination of non-resonant heterobenzylic C‒H bonds and high-throughput diversification of heterocycles
  作者：Dung L. Golden、Kaitlyn M. Flynn、Santeri Aikonen、Christopher M. Hanneman、Dipannita Kalyani、Shane W. Krska、Robert S. Paton、Shannon S. Stahl

  DOI：10.1016/j.chempr.2024.04.001

  日期：2024.4

  Site-selective functionalization of the heterobenzylic C(sp)–H bonds of pyridines and related heteroaromatic compounds presents challenges associated with the basic nitrogen atom and the variable reactivity among different positions on the heteroaromatic ring. Methods for functionalization of 2- and 4-alkylpyridines are increasingly available through polar pathways that leverage resonance stabilization

  吡啶和相关杂芳族化合物的杂苄基 C(sp)-H 键的位点选择性官能化提出了与碱性氮原子和杂芳环上不同位置之间的可变反应性相关的挑战。 2-和4-烷基吡啶的功能化方法越来越多地通过利用这些位置上电荷积累的共振稳定性的极性途径来实现。相比之下，3-烷基吡啶的官能化基本上是难以实现的。在这里，我们报道了一种光化学促进的方法，用于 3-烷基吡啶和相关烷基杂芳烃中非共振杂苄基 C(sp)-H 位点的氯化。密度泛函理论计算表明，最佳反应性反映了两个自由基链增长步骤的能量之间的平衡，优选试剂由β-氯磺酰胺组成。操作简单的氯化方案能够获得杂苄基氯化物，它可作为杂芳族结构单元和各种氧化敏感亲核试剂之间的 C-H 交叉偶联反应的多功能中间体，通过高通量实验进行。
• SCALE-UP PROCESS OF BIFUNCTIONALIZED TRIBLOCK COPOLYMERS WITH SECONDARY AND TERTIARY AMINES, WITH APPLICATION IN DEWATERING AND DESALTING OF HEAVY CRUDE OILS
  申请人：INSTITUTO MEXICANO DEL PETROLEO

  公开号：US20140364566A1

  公开（公告）日：2014-12-11

  A chemical synthesis process is provided for the functionalization of monodispersed triblock copolymer (POE w -POP y -POE w ) with secondary or tertiary amines at a semi-industrial level in glass reactors having a capacity between 1 L and 100 L. The process includes two stages where the first stage uses an alkylsulfonyl or arylsulfonyl chloride to obtain better leaving groups, and the second stage is the nucleophilic substitution with secondary or tertiary amines, to obtain the bifunctionalized triblock copolymers. The main advantage for this process is to reduce the quantity of unitary process done in each stage, the optimization of reaction times, and the stoichiometric relationships.
• HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS
  申请人：The United States of America,as represented by the Secretary,Department of Health and Human Services

  公开号：US20210047293A1

  公开（公告）日：2021-02-18

  Disclosed are compounds of formulas (I)-(IX) for treating or preventing a disease or disorder responsive to antagonism of a P2Y 14 R receptor agonist in a mammal in need thereof, wherein R 1 -R 8 , X, Y, Z, X′, Y′, Z′, and A are as defined herein, that are useful in treating an inflammatory such as asthma, cystic fibrosis, and sterile inflammation of the kidney.