(4-甲氧基-3-甲基苯基)乙醛 | 122333-97-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (4-甲氧基-3-甲基苯基)乙醛
• 英文名称: 3-methyl-4-methoxyphenylacetaldehyde
• 英文别名: (4-methoxy-3-methyl-phenyl)-acetaldehyde；(4-Methoxy-3-methyl-phenyl)-acetaldehyd；2-(4-Methoxy-3-methylphenyl)acetaldehyde
• CAS: 122333-97-5
• 化学式: C₁₀H₁₂O₂
• 分子量: 164.204
• InChiKey: UGXGFCPECPQQMR-UHFFFAOYSA-N

物化性质

• 沸点：
  261.6±25.0 °C(Predicted)
• 密度：
  1.027±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-甲氧基-3-甲基苯基)乙醛 在 palladium on activated charcoal 氢氧化钾 、 sodium tetrahydroborate 、 甲烷磺酸 、 氢气 作用下， 以 甲醇 、 二氯甲烷 、 溶剂黄146 、 苯 为溶剂， 25.0 ℃ 、379.21 kPa 条件下， 反应 19.0h， 生成 1,2,3,4-tetrahydro-6-methyl-7-methoxy-1-naphthalenol
  参考文献：
  名称：

  Introduction of a putative dopaminergic prodrug moiety into a 6,7-substitution pattern characteristic of certain 2-aminotetralin dopaminergic agonists

  摘要：

  On the basis of the premise that the dopaminergic agonist profile of 2-(di-n-propylamino)-5-hydroxy-6-methyltetralin (1a) is due to in vivo oxidation of the 6-methyl moiety and that 1a may represent a novel prodrug strategy, the vicinal methyl-hydroxyl substitution pattern was incorporated into the 6- and 7-positions of 2-(di-n-propylamino)tetralin to give the 6-methyl-7-hydroxy and 6-hydroxy-7-methyl isomers 8 and 9, respectively. A multistep synthetic approach was devised which permitted preparation of target molecules 8 and 9. Pharmacological data revealed that both target compounds exhibit modest dopamine-like effects in the cardioaccelerator nerve assay in the cat, but neither appeared to be metabolically activated as was the case with 1a. The effects of 9 (but not of 8) were antagonized by pretreatment with haloperidol. Thus, the 5-hydroxy-6-methyl substitution pattern in the 2-aminotetralins remains unique as a dopaminergic agonist prodrug structure.

  DOI：

  10.1021/jm00129a029
• 作为产物：
  描述：

  2-甲基-4-戊-2-烯基-苯甲醚 生成 (4-甲氧基-3-甲基苯基)乙醛
  参考文献：
  名称：

  Mumm; Diederichsen, Chemische Berichte, 1939, vol. 72, p. 1523,1526

  摘要：

  DOI：

文献信息

• [EN] IMIDAZOLECARBOXAMIDES AND THEIR USE AS FAAH INHIBITORS<br/>[FR] IMIDAZOLECARBOXAMIDES ET LEUR UTILISATION COMME INHIBITEURS DE FAAH
  申请人：BIAL PORTELA & Cª S A

  公开号：WO2015012708A1

  公开（公告）日：2015-01-29

  A compound having a structure selected from the following: or a pharmaceutically acceptable salt thereof. The compound may be used as an inhibitor of fatty acid amide hydrolase.

  具有以下结构之一的化合物：或其药用可接受的盐。该化合物可作为脂肪酸酰胺水解酶的抑制剂使用。
• [EN] NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES CONDENSÉS CONTENANT DE L'AZOTE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PRODUCTION DE LA BÊTA-AMYLOÏDE
  申请人：EISAI R&D MAN CO LTD

  公开号：WO2010098487A1

  公开（公告）日：2010-09-02

  A compound represented by the formula [I]: or a pharmacologically acceptable salt or ester thereof, wherein Ring A represents a five-membered aromatic heterocyclic group or the like fused with a non-aromatic ring group, which may be substituted, Ring B represents a phenyl group or the like which may be substituted, X1 represents a single bond or the like, R1 and R2 each represent a C1-6 alkyl group or the like, m represents an integer of 0 to 3, and n represents an integer of 0 to 2, is effective as a therapeutic agent for a disease caused by Aβ.

  化合物的分子式为[I]：或其药理学可接受的盐或酯，其中环A代表一个五元芳香杂环基团或类似于非芳香环基团的融合物，可以被取代，环B代表一个苯基或类似的基团，可以被取代，X1代表一个单键或类似物，R1和R2分别代表一个C1-6烷基基团或类似物，m表示0到3的整数，n表示0到2的整数，对由Aβ引起的疾病具有治疗作用。
• Design and Synthesis of a Selective EP4-Receptor Agonist. Part 2: 3,7-DithiaPGE1 Derivatives with High Selectivity
  作者：Toru Maruyama、Masaki Asada、Tai Shiraishi、Akiharu Ishida、Hideyuki Yoshida、Takayuki Maruyama、Shuichi Ohuchida、Hisao Nakai、Kigen Kondo、Masaaki Toda

  DOI：10.1016/s0968-0896(01)00352-2

  日期：2002.4

  To identify new highly selective EP4-agonists, further modification of the 16-phenyl moiety of 1 was continued. 16-(3-methoxymethyl)phenyl derivatives 13-(6q) and 16-(3-ethoxymethyl)phenyl derivatives 13-(7e) showed more selectivity and potent agonist activity than 1. 16-(3-methyl-4-hydroxy)phenyl derivative 18-(14e) demonstrated excellent subtype selectivity, while both its receptor affinity and agonist

  为了鉴定新的高选择性EP4-激动剂，继续对1的16-苯基部分进行进一步修饰。16-（3-甲氧基甲基）苯基衍生物13-（6q）和16-（3-乙氧基甲基）苯基衍生物13-（7e）比1具有更高的选择性和强效激动剂活性。16-（3-甲基-4-羟基）苯基衍生物18-（14e）具有出色的亚型选择性，而其受体亲和力和激动剂活性均不如13-（6q）。还讨论了构效关系（SAR）。
• COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES
  申请人：Synta Pharmaceuticals Corp.

  公开号：US20150005320A9

  公开（公告）日：2015-01-01

  The invention relates to compounds of formula (I): or a pharmaceutically acceptable salt, solvate, clathrate, or prodrug thereof wherein X, Y, A, Z, L and n are defined herein. These compounds are useful as immunosuppressive agents and for treating and preventing inflammatory conditions and immune disorders.

  本发明涉及式(I)的化合物：或其药学上可接受的盐、溶剂合物、包合物或前药，其中X、Y、A、Z、L和n在此定义。这些化合物可用作免疫抑制剂，用于治疗和预防炎症疾病和免疫紊乱。
• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。