4-[(2,6-Difluorophenyl)methoxy]-3-methoxybenzaldehyde | 819075-84-8

• 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: 4-[(2,6-Difluorophenyl)methoxy]-3-methoxybenzaldehyde
• 英文别名: 4-[(2,6-difluorophenyl)methoxy]-3-methoxybenzaldehyde
• CAS: 819075-84-8
• 化学式: C₁₅H₁₂F₂O₃
• 分子量: 278.255
• InChiKey: NUODJMWRIWKJCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[(2,6-Difluorophenyl)methoxy]-3-methoxybenzaldehyde 在 氨 、 氧气 作用下， 以 2-甲基-2-丁醇 为溶剂， 40.0 ℃ 、100.0 kPa 条件下， 反应 24.0h， 以88%的产率得到4-[(2,6-Difluorophenyl)methoxy]-3-methoxybenzonitrile
  参考文献：
  名称：

  稳定且可重复使用的纳米级Fe 2 O 3催化好氧氧化工艺，用于选择性合成腈和伯酰胺

  摘要：

  在腈纶或酰胺基团形式的功能化分子中可持续引入氮基是至关重要的，因为在许多生命科学分子，天然产物和材料中都发现了含氮基序。因此，非常需要使用具有成本效益的催化剂和绿色试剂从容易获得的起始原料合成腈和酰胺的方法。就这一点而言，本文报道了在1 bar O 2的存在下，由醛和氨水进行的纳米级氧化铁催化的腈和伯酰胺的环境友好合成。或空气。在温和的反应条件下，该铁催化的需氧氧化过程继续进行，以合成功能化且结构多样的芳族，脂族和杂环腈。另外，应用该铁基方案，还已经在水介质中制备了伯酰胺。

  DOI：

  10.1039/c7gc02627g

文献信息

• [EN] AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS<br/>[FR] DERIVES D'ACIDES AMINES EN TANT QU'INHIBITEURS DES CANAUX SODIQUES DE MAMMIFERES
  申请人：IONIX PHARMACEUTICALS LTD

  公开号：WO2004087125A1

  公开（公告）日：2004-10-14

  Use of a compound of formula (I), or a pharmaceutically acceptable salt thereof, in the manufacture of a medicament for use in the treatment or prevention of a condition selected from chronic and acute pain, tinnitus, bowel disorders, bladder dysfunctions and demyelinating diseases, Formula (I) wherein: - R1 is Cl-C6 alkyl, C6-C10 aryl, a 5- to 10- membered heteroaryl group, a 5- to 10- membered heterocyclyl group or a C3-C6 carbocyclyl group; each R2 is the same or different and represents Cl-C6 alkyl, halogen, Cl-C6 alkoxy, Cl-C6 alkythio, hydroxy, nitro, cyano, amino, (Cl-C6 alkyl)amino or di-( Cl-C6 alkyl)amino; - R3 represents hydrogen, Cl-C6 alkyl, or together with R4 represents a C2-C4 alkylene group; - R4 is hydrogen, Cl-C6 alkyl, C6-C10 aryl, C3-C6 carbocyclyl, a 5- to 10­membered heteroaryl group, a 5- to 10- membered heterocyclyl group, -( Cl-C6 alkyl)-(C6-C10 aryl), -(C1-C6 alkyl)-(C3-C6 carbocyclyl), -(C1-C6 alkyl)-(5-to 10- membered heteroaryl), - ( Cl-C6 alkyl)-(5- to 10- membered heterocyclyl) or, together with R3 represents a C2-C4 alkylene group; - R5 and R6 are the same or different and each represent hydrogen or a Cl-C6 alkyl group; - n is 0,1, 2, 3 or 4; X1 represents a direct bond or a methylene group; and X2 represents a -CH2-, -CO-, -SO- or -S(O)2- group, wherein: the alkyl and alkylene groups and moieties in the substituents R1 to R6 and X, are unsubstituted or are substituted by 1, 2 or 3 substituents which are the same or different and are selected from hydroxy, amino, C1-C4 alkoxy, C1-C4 alkylthio, C1-C4 alkylamino and di(C1-C4 alkyl)amino substituents; and the aryl, heteroaryl, heterocyclyl and carbocyclyl groups and moieties in the substituents R1 and R4 are unsubstituted or are substituted by 1, 2 or 3 substituents which are the same or different and are selected from halogen, Cl-C6 alkyl, Cl-C6 alkoxy, Cl-C6 alkylthio, hydroxy, amino, Cl-C6 alkylamino, di-( Cl-C6 alkyl)amino, Cl-C6 haloalkyl, Cl-C6 haloalkoxy and Cl-C6 haloalkylthio substituents. provided that, when n is 1, 2, 3 or 4, R4 is other than hydrogen and when n is 0, X2 is -CH2- and R1 is an aryl or heteroaryl group, then either: (a) R, is a phenyl group which carries at least one -SCF3 substituent or is a thienyl group which carries at least one chloro substituent; (d) R1 is a phenyl group which carries at least one -CF3 substituent or at least two halogen substituents; or (e) R4 is benzyl or hydroxybenzyl and R1 is a phenyl group which carries a fluorine or -OCH3 substituent.
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：IONIX PHARMACEUTICALS LTD

  公开号：WO2005000309A2

  公开（公告）日：2005-01-06

  Compounds of the formulae (I) and (II), and pharmaceutically acceptable salts thereof, are found to be inhibitors of sensory neurone specific (SNS) sodium channels. They are therefore useful as analgesic and neuroprotective agents. Formula (I) & Formula (II) wherein, in the formula (I), R1 is an organic substituent, X1 and X2 are direct bonds or spacer moieties, Ar is aryl or heteroaryl and Y is a substituted aminoalkyl group or a heteroaryl-, heterocyclyl- or phenyl-containing moiety and, in the formula(II), R1, R2, R3, Ar and R4 are organic substituents, X is a spacer moiety and Het is a 5-membered heteroaryl or heterocyclyl group.
• Stable and reusable nanoscale Fe₂O₃-catalyzed aerobic oxidation process for the selective synthesis of nitriles and primary amides
  作者：Kathiravan Murugesan、Thirusangumurugan Senthamarai、Manzar Sohail、Muhammad Sharif、Narayana V. Kalevaru、Rajenahally V. Jagadeesh

  DOI：10.1039/c7gc02627g

  日期：——

  nitriles and amides from easily available starting materials using cost-effective catalysts and green reagents is highly desired. In this regard, herein we report the nanoscale iron oxide-catalyzed environmentally benign synthesis of nitriles and primary amides from aldehydes and aqueous ammonia in the presence of 1 bar O2 or air. Under mild reaction conditions, this iron-catalyzed aerobic oxidation process

  在腈纶或酰胺基团形式的功能化分子中可持续引入氮基是至关重要的，因为在许多生命科学分子，天然产物和材料中都发现了含氮基序。因此，非常需要使用具有成本效益的催化剂和绿色试剂从容易获得的起始原料合成腈和酰胺的方法。就这一点而言，本文报道了在1 bar O 2的存在下，由醛和氨水进行的纳米级氧化铁催化的腈和伯酰胺的环境友好合成。或空气。在温和的反应条件下，该铁催化的需氧氧化过程继续进行，以合成功能化且结构多样的芳族，脂族和杂环腈。另外，应用该铁基方案，还已经在水介质中制备了伯酰胺。