1-(4-(tert-butyl)phenyl)propan-2-amine | 136027-29-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-(tert-butyl)phenyl)propan-2-amine
• 英文别名: 1-(4-t-butylphenyl)-propan-2-amine；2-amino-1-(4-t-butylphenyl)propane；1-(4-Tert-butylphenyl)propan-2-amine
• CAS: 136027-29-7
• 化学式: C₁₃H₂₁N
• 分子量: 191.316
• InChiKey: PYIVLZVGWKGCGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4-(tert-butyl)phenyl)propan-2-amine 在 palladium on activated charcoal 盐酸 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 戊醇 为溶剂， 生成 [2-(4-tert-Butyl-phenyl)-1-methyl-ethyl]-[(4S,6R)-4,6-dimethyl-tetrahydro-pyrimidin-(2Z)-ylidene]-amine; hydrochloride
  参考文献：
  名称：

  Guanidinium and amidinium fungicides: A new class of carbocation mimetic ergosterol biosynthesis inhibitors

  摘要：

  AbstractA novel class of chemical has been designed with the aim of inhibiting the Δ14‐reductase and Δ8‐Δ7‐isomerase enzymes in the ergosterol biosynthesis pathway in fungi. Use was made of knowledge about the mechanisms of both enzymes and the mode of action of known, fungicidal inhibitors of these enzymes. Pioneer examples have been synthesised and have been demonstrated to be potent inhibitors of ergosterol biosynthesis in Ustilago maydis (DC) Corda, acting in the same manner as the commercial fungicide fenpropimorph. They also showed excellent fungicidal activity against Erysiphe graminis DC f. sp. hordei Marchal (powdery mildew of barley) and Puccinia recondita Rob. ex Desm. (wheat leaf rust) in in‐vivo glasshouse tests. Using these compounds as a starting point, systematic structural variation has been carried out. Testing of a wide range of analogues at high volume confirms the potential of this class of compound to control mildew and rust pathogens at levels comparable to those of the standards. Correlation of in‐vivo and enzymatic data is good and the structure‐activity relationship developed for this series of compounds closely parallels that found for the morpholine/piperidine class of fungicides, suggesting a common mode of action.

  DOI：

  10.1002/ps.2780440406
• 作为产物：
  描述：

  1-(tert-butyl)-4-(prop-1-en-1-yl)benzene 在 10-phenyl-9-(2,4,6-trimethylphenyl)acridinium tetrafluoroborate 、 碳酸氢铵 、 2-氨基苯硫醇 作用下， 以 二氯甲烷 、 氯苯 为溶剂， 反应 12.0h， 以87%的产率得到1-(4-(tert-butyl)phenyl)propan-2-amine
  参考文献：
  名称：

  通过选择性无金属加氢胺化直接从烯烃中获取伯胺

  摘要：

  由容易获得的前体直接和选择性合成伯胺是有吸引力的，但仍具有挑战性。在此，我们报道了室温下通过无金属的区域选择性加氢胺从烯烃快速合成伯胺的方法。碳酸铵首次用作氨替代物，可在温和条件下将末端和内部烯烃有效转化为线性，α支化和α叔伯胺。该方法提供了一种直接而有效的方法，可用于制药化学和其他领域特别感兴趣的各种先进的，高度官能化的伯胺。

  DOI：

  10.1002/anie.202016679

文献信息

• Oxabicycloheptanes and oxabicycloheptenes, their preparation and use
  申请人：Kovach John S.

  公开号：US20100029484A1

  公开（公告）日：2010-02-04

  This invention provides compounds having the structure which may be used for the treatment of tumors.

  这项发明提供了具有以下结构的化合物，可用于肿瘤治疗。
• Tetrahydropyrimidine derivatives
  申请人：Shell Research Limited

  公开号：US05332745A1

  公开（公告）日：1994-07-26

  The invention provides a fungicidal composition comprising a carrier and, as active ingredient, certain tetrahydropyrimidine derivatives of the general formula ##STR1## or an acid-addition salt or metal salt complex thereof, in which n is 0, 1, 2 or 3; R represents an optionally substituted alkyl, aryl or aralkyl group; R.sup.1 represents a hydrogen atom or an optionally substituted alkyl or aralkyl group; R.sup.2 represents an optionally substituted aryl group; p is 0 or 1; X represents a group --NR.sup.3 -- or --NR.sup.3 --NR.sup.3 -- where each R.sup.3 independently represents a hydrogen atom or an optionally substituted alkyl, aryl or aralkyl group or R.sup.1 and (X).sub.p --A--R.sup.2 together represent a group --(CR.sup.4 R.sup.5).sub.q --N(A--R.sup.2)-- where q is 2 or 3 and each of R.sup.4 and R.sup.5 is independently selected from a group consisting of hydrogen atoms and optionally substituted alkyl groups; and A represents a group --(CR.sup.6 R.sup.7).sub.m -- where m is 0, 1, 2, 3 or 4 and each of R.sup.6 and R.sup.7 is independently selected from a group consisting of hydrogen atoms and optionally substituted alkyl groups.

  本发明提供了一种杀菌组合物，包括载体和作为活性成分的某些四氢嘧啶衍生物，其通式为##STR1##或其酸加成盐或金属盐络合物，其中n为0、1、2或3；R代表可选取代的烷基、芳基或芳基烷基；R.sup.1代表氢原子或可选取代的烷基或芳基烷基；R.sup.2代表可选取代的芳基基团；p为0或1；X代表一个基团--NR.sup.3--或--NR.sup.3--NR.sup.3--，其中每个R.sup.3独立地代表氢原子或可选取代的烷基、芳基或芳基烷基，或R.sup.1和(X).sub.p--A--R.sup.2一起代表一个基团--(CR.sup.4R.sup.5).sub.q--N(A--R.sup.2)--，其中q为2或3，每个R.sup.4和R.sup.5独立地选自由氢原子和可选取代的烷基基团；A代表一个基团--(CR.sup.6R.sup.7).sub.m--，其中m为0、1、2、3或4，每个R.sup.6和R.sup.7独立地选自由氢原子和可选取代的烷基基团。
• Oxabicycloheptanes and Oxabicycloheptenes, Their Preparation and Use
  申请人：Kovach John S.

  公开号：US20120264764A1

  公开（公告）日：2012-10-18

  This invention provides compounds having the structure which may be used for the treatment of tumors.

  这项发明提供了具有以下结构的化合物，可用于肿瘤治疗。
• GLUCOSYLCERAMIDE SYNTHASE INHIBITORS
  申请人：Genzyme Corporation

  公开号：US20140371460A1

  公开（公告）日：2014-12-18

  The invention relates to inhibitors of glucosylceramide synthase (GCS) useful for the treatment metabolic diseases, such as lysosomal storage diseases, either alone or in combination with enzyme replacement therapy, and for the treatment of cancer.

  本发明涉及一种对糖脂合成酶（GCS）的抑制剂，用于治疗代谢性疾病，例如溶酶体贮存病，可单独使用或与酶替代治疗相结合，并用于治疗癌症。
• OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES FOR THE TREATMENT OF DIABETES
  申请人：Kovach John S.

  公开号：US20150148353A1

  公开（公告）日：2015-05-28

  A method of increasing the insulin sensitivity of a mammalian cell by contacting the cell with a protein phosphatase 2A (PP2A) inhibitor having the structure:

  一种增加哺乳动物细胞胰岛素敏感性的方法，通过将细胞与具有以下结构的蛋白磷酸酶2A（PP2A）抑制剂接触：（原文未给出结构式，无法翻译）