α-[RS]Ethyl-4-difluoromethoxybenzylamine | 130339-51-4

• 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: α-[RS]Ethyl-4-difluoromethoxybenzylamine
• 英文别名: dl-α-ethyl-4-difluoromethoxybenzylamine；1-[4-(Difluoromethoxy)phenyl]propan-1-amine
• CAS: 130339-51-4
• 化学式: C₁₀H₁₃F₂NO
• mdl: MFCD09732334
• 分子量: 201.216
• InChiKey: MIFMZIPFCNEFBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-氯-7-氟喹唑啉 、 α-[RS]Ethyl-4-difluoromethoxybenzylamine 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Quantitative structure-fungicidal activity relationships ofN-(4-difluoromethoxybenzyl)­pyrimidin-4-amines against wheat and barley fungi

  摘要：

  DOI：

  10.1002/(sici)1096-9063(199909)55:9<896::aid-ps32>3.0.co;2-p
• 作为产物：
  描述：

  4-羟基苯丙酮 在 镍 aluminum hydroxide 、 氨 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 100.0 ℃ 、1.96 MPa 条件下， 反应 10.0h， 生成 α-[RS]Ethyl-4-difluoromethoxybenzylamine
  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

• Substituted pyridines, their preparation, and their use as pesticides
  申请人：Hoechst Schering AgrEvo GmbH

  公开号：US05650417A1

  公开（公告）日：1997-07-22

  Substituted pyridines, their preparation, and their use as pesticides and fungicides. The invention relates to compounds of the formula ##STR1## and to salts thereof in which 1, 2, 3 or 4 of the radicals R.sup.1, R.sup.2, R.sup.3 and R.sup.4 are an aliphatic, alicyclic or araliphatic radical bonded by a --O--CH.sub.2 -- or --O--CO--, and the remaining ones of these radicals are H, halogen or an aliphatic or aromatic radical, X is O, S or optionally substituted imino, Y is a bond or a bivalent radical and Z is an aromatic radical or optionally substituted cycloalkyl or cycloalkenyl. The invention furthermore relates to processes for their preparation and to their use as pesticides, in particular as insecticides, acaricides and fungicides.

  取代吡啶类化合物，其制备以及作为杀虫剂和杀菌剂的用途。该发明涉及以下结构的化合物及其盐：其中R.sup.1、R.sup.2、R.sup.3和R.sup.4中的1、2、3或4个基团是通过--O--CH.sub.2--或--O--CO--键结合的脂肪、脂环或芳脂基团，其余基团为H、卤素或脂肪或芳香基团，X为O、S或可选择取代的亚胺基，Y为键或二价基团，Z为芳香基团或可选择取代的环烷基或环烯基。此外，该发明还涉及其制备方法以及作为杀虫剂、特别是杀虫剂、螨虫剂和杀菌剂的用途。
• 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。
• Aralkylamine derivatives, and fungicides containing the same
  申请人：Ube Industries, Ltd.

  公开号：US05141941A1

  公开（公告）日：1992-08-25

  Disclosed are a compound of the formula (I) or an acid addition salt thereof: ##STR1## wherein Q represents R.sup.1 , R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6, n and z are defined as in the specification, preparation method thereof and fungicides containing the same.

  本发明公开了化合物的化学式（I）或其酸加成盐：##STR1## 其中Q代表R1、R2、R3、R4、R5、R6，n和z的定义如说明书中所述，以及其制备方法和含有该化合物的杀菌剂。
• Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors
  申请人：Allen George David

  公开号：US20070111995A1

  公开（公告）日：2007-05-17

  The invention provides pyrazolo[3,4-b]pyridine compounds of formula (I) having a —C(O)—NH—C(R 4 )(R 5 )-aryl substituent at the 5-position of the pyrazolo[3,4-b]pyridine ring system wherein at least one of R 4 and R 5 is not a hydrogen atom (H) compound or a salt thereof: wherein Ar has the sub-formula (x) or (z). These compounds are useful as inhibitors of PDE4.

  本发明提供了式(I)的吡唑并[3,4-b]吡啶化合物，其在吡唑并[3,4-b]吡啶环系的5位具有—C(O)—NH—C(R4)(R5)-芳基取代基，其中R4和R5中至少有一个不是氢原子（H）化合物或其盐：其中Ar具有亚式（x）或（z）。这些化合物可用作PDE4的抑制剂。
• PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS
  申请人：Allen David George

  公开号：US20080132536A1

  公开（公告）日：2008-06-05

  The invention provides a compound of formula (I) or a salt thereof: wherein Ar has the sub-formula (x) or (z): and wherein R 3 is optionally substituted C 3-8 cycloalkyl, optionally substituted C 5-7 cycloalkenyl, an optionally substituted heterocyclic group (aa), (bb) or (cc), or a bicyclic group (ee); and wherein R 4 is H, C 1-3 alkyl, C 1-2 fluoroalkyl, cyclopropyl, —CH 2 OR 4a , —CH(Me)OR 4a , or —CH 2 CH 2 OR 4a ; and R 5 is inter alia H, C 1-8 alkyl, C 1-3 fluoroalkyl, C 3-8 cycloalkyl, certain substituted alkyl groups, —(CH 2 ) n 13 -Het, or optionally substituted phenyl or —CH 2 -Ph; or R 4 and R 5 taken together are —(CH 2 ) p 1 — or —(CH 2 ) p 3 —X 5 —(CH 2 ) p 4 —; provided that at least one of R 4 and R 5 is not a hydrogen atom (H). The invention also provides the use of the compounds as inhibitors of phosphodiesterase type IV (PDE4) and/or for the treatment and/or prophylaxis of inflammatory and/or allergic diseases such as chronic obstructive pulmonary disease (COPD), asthma, rheumatoid arthritis, allergic rhinitis or atopic dermatitis.

  该发明提供了式(I)的化合物或其盐： 其中Ar具有亚式(x)或(z)： 其中，R3是可选的取代C3-8环烷基，可选的取代C5-7环烯基，可选的取代的杂环基(aa)，(bb)或(cc)，或者是双环基(ee)； 其中，R4是氢，C1-3烷基，C1-2氟代烷基，环丙基，—CH2OR4a，—CH(Me)OR4a或—CH2CH2OR4a； 而R5则是包括氢、C1-8烷基、C1-3氟代烷基、C3-8环烷基、某些取代烷基、—(CH2)n13-Het，或可选取代的苯基或—CH2-Ph等的基团； 或者，R4和R5在一起是—(CH2)p1—或—(CH2)p3—X5—(CH2)p4—； 但是至少其中一个R4和R5不是氢原子（H）。 该发明还提供了将这些化合物用作磷酸二酯酶IV（PDE4）的抑制剂和/或用于治疗和/或预防炎症和/或过敏性疾病，如慢性阻塞性肺疾病（COPD）、哮喘、类风湿性关节炎、过敏性鼻炎或特应性皮炎的用途。