methyl-3-(2,4-dimethoxyphenyl)propanoate | 22174-28-3

• 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: methyl-3-(2,4-dimethoxyphenyl)propanoate
• 英文别名: 3-<2.4-Dimethoxy-phenyl>-propionsaeuremethylester；β-(2,4-Dimethoxy-phenyl)-propionsaeure-methylester；methyl 3-(2,4-dimethoxyphenyl)propionate；3-(2,4-dimethoxyphenyl)propionic acid methyl ester；methyl 3-(2,4-dimethoxyphenyl)propanoate
• CAS: 22174-28-3
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: QMBXDFXFCRVADN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl-3-(2,4-dimethoxyphenyl)propanoate 生成 3-(2,4-dimethoxyphenyl)propyl alcohol
  参考文献：
  名称：

  WO2008/78291

  摘要：

  公开号：
• 作为产物：
  描述：

  反-2,4-二甲氧基肉桂酸 以89%的产率得到
  参考文献：
  名称：

  BREIPOHL, GERHARD;KNOLLE, JOCHEN;STUBER, WERNER, INT. J. PEPTIDE AND PROTEIN RES., 34,(1989) N, C. 262-267

  摘要：

  DOI：

文献信息

• SUBSTITUTED CYCLOHEXANE-1, 3-DIONE COMPOUNDS, PROCESS FOR PREPARATION THEREOF AND ITS APPLICATIONS
  申请人：Das Pralay

  公开号：US20130079545A1

  公开（公告）日：2013-03-28

  A regio-selective and consecutive Michael-Claisen process has been developed for substituted cyclohexane-1,3-dione synthesis started from unsubstituted or substituted acetone and α,β-unsaturated esters. Substituted cyclohexane-1,3-diones are the basic unit found in several natural products, bioactive alkaloids and acridine dione type heterocycles, polyphenols, and unnatural amino acid synthesis. Most of the potent herbicidal and pesticidal active molecules contain cyclohexane-1,3-dione derivatives. Such an important intermediate synthesis using a facile, atom economy and one-pot process is a demandable area in organic synthesis.

  已开发出一种用于合成取代环己烷-1,3-二酮的区域选择性和连续的Michael-Claisen过程，该过程始于未取代或取代的丙酮和α，β-不饱和酯。取代环己烷-1,3-二酮是几种天然产物、生物活性生物碱和吖啶二酮类杂环、多酚以及非天然氨基酸合成中发现的基本单元。大多数有效的除草剂和杀虫剂活性分子含有环己烷-1,3-二酮衍生物。利用简便、原子经济和一锅法过程进行如此重要的中间体合成是有需求的有机合成领域。
• Acid-labile anchor groups for the synthesis of peptide amides by a
  申请人：Hoechst Aktiengesellschaft

  公开号：US05124478A1

  公开（公告）日：1992-06-23

  The invention relates to new compounds of the formula ##STR1## in which R.sup.1 denotes (C.sub.1 -C.sub.8)-alkyl, R.sup.2 denotes an amino acid residue which is protected with a urethane protective group which can be eliminated with weak acid or base, or denotes an amino protective group which can be eliminated with weak acid or base, R.sup.3 denotes hydrogen or (C.sub.1 -C.sub.4)-alkyl, and Y.sup.1 -Y.sup.9 denote identical or different radicals hydrogen, (C.sub.1 -C.sub.4)-alkyl, (C.sub.1 -C.sub.4)-alkoxy or --O--(CH.sub.2).sub.n --COOH (with n=1 to 6), with one of these radicals being --O--(CH.sub.2).sub.n --COOH, or Y.sup.1, Y.sup.2 and Y.sup.5 -Y.sup.9 denote identical or different radicals hydrogen, (C.sub.1 -C.sub.4)-alkyl or (C.sub.1 -C.sub.4)-alkoxy, Y.sup.3 denotes hydrogen or (C.sub.1 -C.sub.8)-alkoxy and Y.sup.4 denotes --(CH.sub.2).sub.n --COOH or --NH--CO--(CH.sub.2).sub.n --COOH (with n=1 to 6). Processes for the preparation thereof and the synthesis of peptide amides by a solid-phase method using these new compounds (spacers) are described.

  该发明涉及公式##STR1##中的新化合物，其中R.sup.1表示(C.sub.1 -C.sub.8)-烷基，R.sup.2表示氨基酸残基，其用尿素保护基保护，可以用弱酸或碱消除，或表示可以用弱酸或碱消除的氨基保护基，R.sup.3表示氢或(C.sub.1 -C.sub.4)-烷基，Y.sup.1 -Y.sup.9表示相同或不同的基团氢，(C.sub.1 -C.sub.4)-烷基，(C.sub.1 -C.sub.4)-烷氧基或--O--(CH.sub.2).sub.n --COOH（n=1至6），其中其中一个基团为--O--(CH.sub.2).sub.n --COOH，或Y.sup.1、Y.sup.2和Y.sup.5 -Y.sup.9表示相同或不同的基团氢，(C.sub.1 -C.sub.4)-烷基或(C.sub.1 -C.sub.4)-烷氧基，Y.sup.3表示氢或(C.sub.1 -C.sub.8)-烷氧基，Y.sup.4表示--(CH.sub.2).sub.n --COOH或--NH--CO--(CH.sub.2).sub.n --COOH（n=1至6）。描述了制备这些化合物（间隔物）的方法以及使用这些新化合物（间隔物）通过固相法合成肽酰胺的方法。
• Acylation and alkylation of 1,3-dimethoxybenzene in polyphosphoric acid
  作者：T. R. Kasturi、K. M. Damodaran

  DOI：10.1139/v69-252

  日期：1969.5.1

  Products of the reaction of 3-halo- and 3-ethoxypropionic acids with 1,3-dimethoxybenzene (4) in polyphosphoric acid have been shown to be 2′,4′-dimethoxy-3-(2,4-dimethoxyphenyl)-propiophenone (6) and 1,5-bis[3-(2,4-dimethoxyphenyl)-3-keto-propyl]-2,4-dimethoxybenzene (15) and these have been prepared by unambiguous syntheses. 2′,4′-Dimethoxy-3-ethoxypropiophenone (3a) and 2′,3,4′-trimethoxypropiophenone

  3-卤代和 3-乙氧基丙酸与 1,3-二甲氧基苯 (4) 在多磷酸中反应的产物已显示为 2',4'-二甲氧基-3-(2,4-二甲氧基苯基)-苯丙酮(6) 和 1,5-双[3-(2,4-二甲氧基苯基)-3-酮-丙基]-2,4-二甲氧基苯 (15) 和这些是通过明确的合成制备的。2',4'-二甲氧基-3-乙氧基苯丙酮 (3a) 和 2',3,4'-三甲氧基苯丙酮 (3d) 已通过 3-氯-2',4'-二甲氧基苯丙酮 (3c) 的反应合成分别用乙醇和甲醇。
• 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES
  申请人：Aissaoui Hamed

  公开号：US20100093740A1

  公开（公告）日：2010-04-15

  The invention relates to 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives of formula (I), wherein X represents CH 2 or O; R 1 represents a phenyl group, which group is independently mono-, di-, or tri-substituted wherein the substituents are independently selected from the group consisting of (C 1-4 )alkyl, (C 1-4 )alkoxy, halogen, cyano, trifluoromethoxy and trifluoromethyl; R 2 represents (C 1-4 )alkyl, (C 1-4 )alkoxy, (C 2-4 )alkenyl, halogen, cyano, hydroxymethyl, trifluoromethyl, C(O)NR 5 R 6 or cyclopropyl; R 3 represents (C 1-4 )alkyl, (C 1-4 )alkoxy-methyl or halogen; R 4 represents (C 1-4 )alkyl; R 5 represents hydrogen or (C 1-4 )alkyl; and R 6 represents hydrogen or (C 1-4 )alkyl. The invention also relates to pharmaceutically acceptable salts of such compounds; and to the use of such compounds as medicaments; especially as orexin receptor antagonists.

  本发明涉及公式（I）的5,6,7,8-四氢咪唑[1,5-a]吡嗪衍生物，其中X代表CH2或O; R1代表苯基，该基团独立地单取代、双取代或三取代，其中取代基独立地选自由（C1-4）烷基，（C1-4）烷氧基，卤素，氰基，三氟甲氧基和三氟甲基的群组; R2代表（C1-4）烷基，（C1-4）烷氧基，（C2-4）烯基，卤素，氰基，羟甲基，三氟甲基，C（O）NR5R6或环丙基; R3代表（C1-4）烷基，（C1-4）烷氧甲基或卤素; R4代表（C1-4）烷基; R5代表氢或（C1-4）烷基; R6代表氢或（C1-4）烷基。本发明还涉及这种化合物的药学上可接受的盐;以及将这种化合物用作药物的用途;特别是作为促进睡眠激素受体拮抗剂。
• SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND
  申请人：Jiangsu Chia Tai Fenghai Pharmaceutical Co., Ltd.

  公开号：EP3805237A1

  公开（公告）日：2021-04-14

  Provided are a peptide borate ester compound or a pharmaceutically acceptable salt thereof, a preparation method therefor, and pharmaceutical use thereof. The peptide borate ester compound or pharmaceutically acceptable salt thereof has a structure as shown in Formula (I), and is useful in the preparation of proteasome inhibitors to treat solid tumors and hematoma.

  本文提供了一种肽硼酸酯化合物或其药学上可接受的盐、其制备方法及其药物用途。肽硼酸酯化合物或其药学上可接受的盐具有如式（I）所示的结构，可用于制备蛋白酶体抑制剂以治疗实体瘤和血肿。