4-hydroxy-3-methoxy-benzoic acid allyl ester | 99865-83-5

• 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-hydroxy-3-methoxy-benzoic acid allyl ester
• 英文别名: 4-Hydroxy-3-methoxy-benzoesaeure-allylester；allyl 4-hydroxy-3-methoxybenzoate；prop-2-enyl 4-hydroxy-3-methoxybenzoate
• CAS: 99865-83-5
• 化学式: C₁₁H₁₂O₄
• 分子量: 208.214
• InChiKey: IPZQQTRITUSPSU-UHFFFAOYSA-N

物化性质

• 沸点：
  349.0±27.0 °C(Predicted)
• 密度：
  1.170±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-hydroxy-3-methoxy-benzoic acid allyl ester 在 吡啶 、 三氯氧磷 作用下， 生成 3,3',3''-trimethoxy-4,4',4''-phosphoryltrioxy-tri-benzoic acid triallyl ester
  参考文献：
  名称：

  Yanagawa et al., 1957, vol. 8, p. 69,74

  摘要：

  DOI：
• 作为产物：
  描述：

  香草酸 在 硫酸 作用下， 以75%的产率得到4-hydroxy-3-methoxy-benzoic acid allyl ester
  参考文献：
  名称：

  Bi-aromatic esters, a process for their preparation and their use in

  摘要：

  双芳香酯的化学式为##STR1##其中R.sub.1代表H，OH，--CH.sub.3，--CH.sub.2 OH，--CH(OH)CH.sub.3，--COOR.sub.9，##STR2##或SO.sub.2 R.sub.10；R.sub.9代表H，C.sub.1 -C.sub.6烷基或单或多羟基烷基；R.sub.10代表OH，C.sub.1 -C.sub.6烷基或##STR3##r'和r"代表H，C.sub.1 -C.sub.6烷基，芳基，芳基烷基，单或多羟基烷基，或r'和r"一起形成杂环；R.sub.2代表H，C.sub.1 -C.sub.6烷基，OR.sub.9，F或--CF.sub.3；R.sub.3，R.sub.4和R.sub.5代表H，F，OH，--CH.sub.3，--OCH.sub.3，--CF.sub.3，--COOH或--CH.sub.2 OH；R.sub.6和R.sub.8代表H，α-取代的C.sub.3 -C.sub.15烷基，α，α'-二取代的C.sub.4 -C.sub.12烷基，C.sub.3 -C.sub.12环烷基，C.sub.5 -C.sub.12单环或多环环烷基，其连接碳为三取代，--SR.sub.11，--SO.sub.2 R.sub.11或--SOR.sub.11；R.sub.11代表C.sub.1 -C.sub.6烷基或环烷基；R.sub.6和R.sub.8不能同时代表H；R.sub.7代表H，C.sub.1 -C.sub.6烷基，烯烃基，烯烃氧基，OR.sub.12或SR.sub.13；R.sub.12代表H，C.sub.1 -C.sub.6烷基或烯烃基；R.sub.3代表H，C.sub.1 -C.sub.6烷基或芳基；但有一个例外，当R.sub.1代表##STR4##且R.sub.2代表H时：(i)要么R.sub.3和R.sub.4不是H或--CH.sub.3，(ii)或者R.sub.7不是OR.sub.12且R.sub.6或R.sub.8是具有超过7个碳原子的环烷基，(iii)或者R.sub.7是OR.sub.12但R.sub.6和R.sub.8不是H，(iv)或者R.sub.7是OR.sub.12但R.sub.5不是H。这些双芳香酯在人类和兽医药物以及化妆品配方中被使用。

  公开号：

  US05200550A1

文献信息

• A linker for amidines in solid phase synthesis
  作者：Patrick Roussel、Mark Bradley、Ian Matthews、Peter Kane

  DOI：10.1016/s0040-4039(97)01013-7

  日期：1997.7

  A range of linkers for the important amidine pharmacophore, cleavable using acid or light have been developed for use in library synthesis. The utility of these linkers is demonstrated by the solid phase synthesis of the Novartis (ex-Ciba) phase II compound CGS-25019C.

  已经开发了重要的am药药基团的一系列连接基，可使用酸或光将其裂解以用于文库合成。诺华（Ciba前）II期化合物CGS-25019C的固相合成证明了这些接头的效用。
• [EN] BIOLOGICALLY ACTIVE POLYMERIC COMPOUNDS, THEIR METHODS OF PRODUCTION AND USES THEREOF<br/>[FR] COMPOSÉS POLYMÈRES BIOLOGIQUEMENT ACTIFS, LEURS PROCÉDÉS DE PRODUCTION ET LEURS UTILISATIONS
  申请人：SUNREZ CORP

  公开号：WO2009079408A1

  公开（公告）日：2009-06-25

  Described herein are biologically active compounds, methods for making such compounds, wherein said methods comprise reacting a phenolic residue with an amine to form an biologically active polymeric material

  本文描述了具有生物活性的化合物，制备这些化合物的方法，其中所述方法包括将酚残基与胺反应形成具有生物活性的聚合材料。
• Design and Synthesis of a Novel and Potent Series of Inhibitors of Cytosolic Phospholipase A₂ Based on a 1,3-Disubstituted Propan-2-one Skeleton
  作者：Stephen Connolly、Colin Bennion、Sarah Botterell、Pamela J. Croshaw、Catherine Hallam、Kim Hardy、Paul Hartopp、Clive G. Jackson、Sarah J. King、Louise Lawrence、Antonio Mete、David Murray、David H. Robinson、Gillian M. Smith、Linda Stein、Iain Walters、Edward Wells、W. John Withnall

  DOI：10.1021/jm011050x

  日期：2002.3.1

  Using knowledge of the substrate specificity of cPLA(2) (phospliolipases A(2)), a novel series of inhibitors of this enzyme were designed based upon a three point model of inhibitor binding to the enzyme active site comprising a lipophilic anchor, an electrophilic serine "trap", and an acidic binding moiety. The resulting 1,3-diheteroatom-substituted propan-2-ones were evaluated as inhibitors of cPLA2 in both aggregated bilayer and soluble substrate assays. Systematic variation of the lipophilic, electrophilic, and acidic groups revealed a well-defined structure-activity relationship against the enzyme. Optimization of each group led to compound 22 (ARC70484XX), which contains a decyloxy lipophilic side chain, a 1,3-diaryloxypropan-2-one moiety as a unique serine trap, and a benzoic acid as the acidic binding group. AR-C70484XX was found to be among the most potent in vitro inhibitors of cPLA2, described to date being more than 20-fold more active against the isolated enzyme (IC50 = 0.03 muM) than the standard CPLA(2) inhibitor, arachidonyl trifluoromethyl ketone (AACOCF(3)), and also greater than 10-fold more active than AACOCF3 against the cellular production of arachidonic acid by HL60 cells (IC50 = 2.8 muM).
• ESTER-FUNCTIONAL POLYSILOXANES AND COPOLYMERS MADE THEREFROM
  申请人：Momentive Performance Materials Inc.

  公开号：EP3164447A1

  公开（公告）日：2017-05-10
• COMPOSITIONS FOR NEUTRALIZATION AND DECONTAMINATION OF TOXIC CHEMICAL AND BIOLOGICAL AGENTS
  申请人：Puckett Paul M.

  公开号：US20110288360A1

  公开（公告）日：2011-11-24

  Described herein are compositions for neutralization and decontamination of toxic chemical and biological agents. In one embodiment, the subject matter discloses a nontoxic, non-corrosive composition capable of neutralizing and decontaminating toxic chemical and biological agents in a very short period of time. The present subject matter finds utility in a great number of occasions, including, but not limited to, military actions or terrorist attacks where chemical or biological agents are utilized.