N-tert-butyl-3,4-dihydroisoquinoline-2(1H)-carboxamide | 127829-69-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: N-tert-butyl-3,4-dihydroisoquinoline-2(1H)-carboxamide
• 英文别名: N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
• CAS: 127829-69-0
• 化学式: C₁₄H₂₀N₂O
• mdl: MFCD03996458
• 分子量: 232.326
• InChiKey: QFVXUFDJYHLUBA-UHFFFAOYSA-N

物化性质

• 熔点：
  99 °C
• 沸点：
  380.9±22.0 °C(Predicted)
• 密度：
  1.070±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3,4-dihydro-1H-isoquinoline-2-carboxylic acid 2,2,2-trichloro-ethyl ester 、 叔丁胺 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以73%的产率得到N-tert-butyl-3,4-dihydroisoquinoline-2(1H)-carboxamide
  参考文献：
  名称：

  催化 DBU 由氨基甲酸三氯乙酯直接合成不对称脲化合物

  摘要：

  DOI：

  10.1002/bkcs.11314

文献信息

• PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS
  申请人：Philippe Michel

  公开号：US20100028280A1

  公开（公告）日：2010-02-04

  The invention relates to a process for straightening keratin fibres, comprising: (i) a step in which a straightening composition containing at least two denaturing agents is applied to the keratin fibres, (ii) a step in which the temperature of the keratin fibres is raised, using a heating means, to a temperature of between 110 and 250° C.

  该发明涉及一种直发角蛋白纤维的拉直过程，包括：(i)将至少两种变性剂含有的拉直组合物涂抹到角蛋白纤维上的步骤，(ii)使用加热装置将角蛋白纤维的温度升高至110至250°C的步骤。
• Cobalt(II)-Catalyzed Isocyanide Insertion Reaction with Amines under Ultrasonic Conditions: A Divergent Synthesis of Ureas, Thioureas and Azaheterocycles
  作者：Tong-Hao Zhu、Xiao-Ping Xu、Jia-Jia Cao、Tian-Qi Wei、Shun-Yi Wang、Shun-Jun Ji

  DOI：10.1002/adsc.201300745

  日期：2014.2.10

  AbstractCobalt(II) acetylacetonate‐catalyzed isocyanide insertion reactions with amines utilizing tert‐butyl hydroperoxide (TBHP) as an oxidant under ultrasound conditions have been developed, which lead to the synthesis of ureas, thioureas, as well as 2‐aminobenzimidazoles, 2‐aminobenzothiazoles, and 2‐aminobenzoxazoles under the general reaction conditions in up to 96% yields, respectively. The intermediate amino methylidyneaminiums, initiated by cobalt(II) acetylacetonate‐catalyzed reactions of isocyanides with amines, could be easily trapped by different nucleophiles such as water, sulfur, and intramolecular nucleophilic functional groups. This method provides a simple, general and practical protocol for the divergent synthesis of ureas, thioureas and azaheterocycles.magnified image
• MODERHACK, DIETRICH;STOLZ, KARSTEN, CHEM.-ZTG., 114,(1990) N, C. 5-6
  作者：MODERHACK, DIETRICH、STOLZ, KARSTEN

  DOI：——

  日期：——
• US8765107B2
  申请人：——

  公开号：US8765107B2

  公开（公告）日：2014-07-01
• Novel Direct Synthesis of Asymmetrical Urea Compounds from Trichloroethyl Carbamates Using Catalytic DBU
  作者：Ho Seong Jang、Hee-Kwon Kim

  DOI：10.1002/bkcs.11314

  日期：2017.12