1-[4-(二氟甲氧基)苯基]乙胺 | 136123-72-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-[4-(二氟甲氧基)苯基]乙胺
• 英文名称: 1-[4-(difluoromethoxy)phenyl]ethanamine
• 英文别名: dl-α-methyl-4-difluoromethoxybenzylamine；1-(4-difluoromethoxyphenyl)ethylamine
• CAS: 136123-72-3
• 化学式: C₉H₁₁F₂NO
• mdl: MFCD09028381
• 分子量: 187.189
• InChiKey: RTLQRHINHVOHHH-UHFFFAOYSA-N

物化性质

• 沸点：
  237.2±40.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  1-[4-(二氟甲氧基)苯基]乙胺 在 titanium(IV) isopropylate 、 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 3-(((4-(tert-butyl)benzyl)(1-(4-(difluoromethoxy)phenyl)ethyl)amino)methyl)-6-methylquinolin-2(1H)-one
  参考文献：
  名称：

  Lead Optimization of Influenza Virus RNA Polymerase Inhibitors Targeting PA–PB1 Interaction

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c01527
• 作为产物：
  描述：

  1-[4-(二氟甲氧基)苯基]乙酮 在 镍 aluminum hydroxide 、 氨 、 氢气 作用下， 以 甲醇 为溶剂， 100.0 ℃ 、1.96 MPa 条件下， 反应 7.0h， 生成 1-[4-(二氟甲氧基)苯基]乙胺
  参考文献：
  名称：

  Synthesis of benzylaminopyrimidines and their fungicidal activities against wheat brown rust and barley powdery mildew

  摘要：

  Members of a new class of fungicide containing benzyl-aminopyrimidine as a core structure were synthesized and their fungicidal potencies against wheat brown rust, Puccinia recondita, and barley powdery mildew, Erysiphe graminis, were assessed. Among these fungicides, N-(fluoroalkoxy or fluorophenoxybenzyl)-4-pyrimidinamines showed notable preventive activities. The potency of the new pyrimidines was increased when a difluoromethoxy or tetrafluorophenoxy group was introduced at the 4- or 3-position of the phenyl moiety and a methyl or ethyl group was introduced at the benzyl position. Structure-activity relationships are discussed. (C) 1998 Society of Chemical Industry.

  DOI：

  10.1002/(sici)1096-9063(1998110)54:3<223::aid-ps814>3.0.co;2-r

文献信息

• [EN] BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLYL-MÉTHYLURÉE EN TANT QU'AGONISTES DU RÉCEPTEUR ALX
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2015019325A1

  公开（公告）日：2015-02-12

  The present invention relates to benzimidazolyl-methyl urea derivatives of formula (I), wherein n, D, E, R1, R2, R3, R4, R6, R7, R8 and R9 are as defined in the description, their preparation and their use as pharmaceutically active compounds.

  本发明涉及式(I)的苯并咪唑基甲基脲衍生物，其中n、D、E、R1、R2、R3、R4、R6、R7、R8和R9如描述中所定义，它们的制备以及它们作为药用活性化合物的用途。
• [EN] CYCLIC INHIBITORS OF 11ß-HYDROXYSTERIOD DEHYDROGENASE 1<br/>[FR] INHIBITEURS CYCLIQUES DE LA 11?-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE 1
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2009017664A1

  公开（公告）日：2009-02-05

  This invention relates to novel compounds of the Formula (I), (Ia), (Ib), (Ic), (Id), (Ie), (If), (Ig), (Ih); (Ii); (Ij), (Ik), (II) pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful for the therapeutic treatment of diseases associated with the modulation or inhibition of 11 β-HSD1 in mammals. The invention further relates to pharmaceutical compositions of the novel compounds and methods for their use in the reduction or control of the production of cortisol in a cell or the inhibition of the conversion of cortisone to cortisol in a cell.

  本发明涉及式(I)、(Ia)、(Ib)、(Ic)、(Id)、(Ie)、(If)、(Ig)、(Ih)；(Ii)；(Ij)，(Ik)，(II)的新颖化合物，其药用可接受的盐以及药物组合物，这些化合物对于治疗与调节或抑制哺乳动物中的11β-HSD1相关的疾病是有用的。本发明进一步涉及新颖化合物的药物组合物及其在减少或控制细胞中皮质醇的产生或抑制细胞中将可的松转化为皮质醇的方法。
• [EN] GPR139 RECEPTOR MODULATORS<br/>[FR] MODULATEURS DU RÉCEPTEUR GPR139
  申请人：BLACKTHORN THERAPEUTICS INC

  公开号：WO2020097609A1

  公开（公告）日：2020-05-14

  Compounds are provided that modulate the GPR139 receptor, compositions containing the same, and to methods of their preparation and use for treatment of a malcondition wherein modulation of the GPR139 receptor is medically indicated or beneficial. Such compounds have the structure of Formula (X) or a pharmaceutically acceptable isomer, racemate, hydrate, solvate, isotope, or salt thereof, wherein R1, R2, R3, R4, R9, R10, R11, and R12, Q5, Q6, Q7 and Q8 are as defined herein.

  提供了调节GPR139受体的化合物，含有这些化合物的组合物，以及它们的制备和用于治疗GPR139受体调节在医学上指示或有益的失调的方法。这些化合物具有Formula（X）的结构或其在药学上可接受的异构体，消旋体，水合物，溶剂合物，同位素或盐，其中R1，R2，R3，R4，R9，R10，R11和R12，Q5，Q6，Q7和Q8如本文所定义。
• BENZOIC ACID DERIVATIVES
  申请人：Gillespie Paul

  公开号：US20130079346A1

  公开（公告）日：2013-03-28

  There are disclosed are compounds of the formula: wherein R1 and R2 are as disclosed herein, which are eIF4E inhibitors useful in the treatment of cancers. Also disclosed are compositions comprising the compounds, as well as methods of treating cancer using the compounds.

  已披露的化合物的公式如下：其中R1和R2如本文所述，它们是eIF4E抑制剂，可用于治疗癌症。还披露了包含这些化合物的组合物，以及使用这些化合物治疗癌症的方法。
• Fungicidal composition
  申请人：UBE INDUSTRIES, LTD.

  公开号：EP0432894A1

  公开（公告）日：1991-06-19

  Aralkylamine derivatives, preparation thereof and bactericides containing the same Disclosed are a fungicidal composition containing a compound represented by the formula (I): wherein R¹ represents a halogen atom and R² and R³ each represent a lower alkyl group, and R⁴ represents or -CHF₂, or an acid addition salt thereof, and at least one fungicide having ergosterol biosynthesis inhibitive activity or cytokinesis inhibitive activity.

  阿拉基胺衍生物，其制备方法以及含有该物质的杀菌剂。公开了一种含有由式(I)表示的化合物的杀真菌组合物：其中R¹代表卤素原子，R²和R³各代表较低的烷基基团，R⁴代表或-CHF₂，或其酸盐加合物，并且至少含有一种具有麦角固醇生物合成抑制活性或细胞分裂抑制活性的杀菌剂。