methyl-2,6-diacetyloxy-4-methyl benzoate | 17492-27-2

• 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-2,6-diacetyloxy-4-methyl benzoate
• 英文别名: Methyl-2,6-diacetoxy-4-methylbenzoat；Methyl-p-orsellinat-diacetat；Methyl-4-methyl-2.6-diacetoxybenzoat；2,6-diacetoxy-4-methyl-benzoic acid methyl ester；2,6-Diacetoxy-4-methyl-benzoesaeure-methylester；methyl 4-methyl-2,6-diacetoxybenzoate；methyl 2,6-diacetyloxy-4-methylbenzoate
• CAS: 17492-27-2
• 化学式: C₁₃H₁₄O₆
• 分子量: 266.251
• InChiKey: QGEIEIBIKYVKRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl-2,6-diacetyloxy-4-methyl benzoate 在 三氯化铝 作用下， 生成 3-acetyl-2,6-dihydroxy-4-methyl-benzoic acid
  参考文献：
  名称：

  Saraiya; Shah, Proceedings - Indian Academy of Sciences, Section A, 1950, # 31, p. 213,217

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二羟基-4-甲基苯甲酸甲酯 在 吡啶 、 乙酸酐 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 以98%的产率得到methyl-2,6-diacetyloxy-4-methyl benzoate
  参考文献：
  名称：

  Boronic compound complexing reagents and highly stable complexes

  摘要：

  揭示了硼化合物络合试剂、硼化合物络合物以及合成这些试剂和络合物的方法。这些试剂和络合物包括在一般公式CIII、一般公式CIV和一般公式CVI中显示的那些。在一种实施例中，一般公式CIII的试剂可用于与生物活性物质（BAS）缩合后产生一般公式CIV的试剂。一般公式CIV的试剂可用于与硼化合物形成络合物，例如在一般公式CVI中显示的络合物。

  公开号：

  US05837878A1

文献信息

• Bifunctional boronic compound complexing reagents and complexes
  申请人：Prolinx, Inc.

  公开号：US06156884A1

  公开（公告）日：2000-12-05

  Reagents suitable for the modification of a bioactive species for the purpose of incorporating a bifunctional boronic compound complexing moiety for subsequent conjugation to a different (or the same) bioactive species having pendant phenylboronic acid moieties of General Formula 1, ##STR1## wherein group R is an electrophilic or nucleophilic moiety suitable for reaction of the putative bifunctional boronic compound complexing reagent with a bioactive species, wherein group R.sub.2 is selected from one of H and OH moieties, and wherein group R.sub.3 is selected from one of an alkyl and a methylene bearing an electronegative substituent. Group Z is a spacer selected from (CH.sub.2).sub.n and CH.sub.2 O(CH.sub.2 CH.sub.2 O).sub.n.sbsb.2, wherein n is an integer of from 1 to 5, and wherein n.sub.2 is an integer of from 1 to 4. Each of group Z.sub.2 and Z.sub.3 is a spacer selected from CH.sub.2 Ar, CH.sub.2 CONHCH.sub.2 Ar, CH.sub.2 CONH(CH.sub.2).sub.n.sbsb.3 CO--NHCH.sub.2 Ar, and (CH.sub.2).sub.n.sbsb.4 NHCO(CH.sub.2).sub.n.sbsb.5 CONHCH.sub.2 Ar, wherein the group Ar represents the aromatic ring in the reagent of General Formula I to which the spacer Z.sub.2 or Z.sub.3 is appended, wherein n.sub.3 is an integer of from 1 to 5, wherein n.sub.4 is an integer selected from one of 2 and 3, and wherein n.sub.5 is an integer of from 1 to 4. Reaction of a reagent of General Formula I with a bioactive species affords a conjugate having pendant putative bifunctional boronic compound complexing moieties. (one or more) The conjugate may be further reacted with hydroxylamine (NH.sub.2 OH) by amidation of the benzoic acid ester moiety to afford a class of bifunctional boronic compound complexing conjugate, e.g., conjugate with one or more pendant bifunctional boronic compound complexing moieties.

  适用于修改生物活性物种的试剂，目的是将具有双功能硼酸化合物络合基团的试剂并入（或相同的）具有苯硼酸酯基团的生物活性物种，其通式为1，其中基团R是适合用于反应假定的双功能硼酸化合物络合试剂与生物活性物种的亲电性或亲核性基团，其中基团R.sub.2从H和OH基团中选择，基团R.sub.3从带有电负取代基团的烷基和亚甲基中选择。基团Z是选择自(CH.sub.2).sub.n和CH.sub.2 O(CH.sub.2 CH.sub.2 O).sub.n.sbsb.2的间隔基团，其中n为1至5的整数，n.sub.2为1至4的整数。群Z.sub.2和Z.sub.3中的每个都是选择自CH.sub.2 Ar、CH.sub.2 CONHCH.sub.2 Ar、CH.sub.2 CONH(CH.sub.2).sub.n.sbsb.3 CO--NHCH.sub.2 Ar和(CH.sub.2).sub.n.sbsb.4 NHCO(CH.sub.2).sub.n.sbsb.5 CONHCH.sub.2 Ar的间隔基团，其中群Ar代表通式I中试剂中连接的间隔基团Z.sub.2或Z.sub.3的芳香环，其中n.sub.3为1至5的整数，n.sub.4为2或3中的一个整数，n.sub.5为1至4的整数。通式I的试剂与生物活性物种的反应产生具有悬挂假定双功能硼酸化合物络合基团的结合物（一个或多个）。结合物可以进一步与羟胺（NH.sub.2 OH）反应，通过苯甲酸酯基团的酰胺化作用形成一类双功能硼酸化合物络合结合物，例如，具有一个或多个悬挂双功能硼酸化合物络合基团的结合物。
• Synthesis of an 11-deoxypretetramide derivative
  作者：James L. Bloomer、Christian S. Brosz

  DOI：10.1016/s0040-4020(01)96675-x

  日期：1985.1

  A short and efficient synthesis of the 4-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid derivative () is described. This synthon may be converted to the dihydronaphthacenone derivative () in a regiocontrolled manner in only two steps using condensation with 2,5-dimethoxybenzaldehyde followed by intramolecular acylation. The enol form of the dihydronaphthacenone, () corresponds to a derivative

  描述了4-氧-1,2,3,4-四氢-2-萘甲酸衍生物（）的短而有效的合成。使用与2，5-二甲氧基苯甲醛缩合，然后进行分子内酰化，仅在两个步骤中就可以以区域控制的方式将该合成子转化为二氢萘甲酮衍生物（）。二氢萘甲酮的烯醇形式（）对应于11-脱氧普瑞米特的衍生物。
• BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES
  申请人：PROLINX, INC.

  公开号：EP0915832A1

  公开（公告）日：1999-05-19
• US5777148A
  申请人：——

  公开号：US5777148A

  公开（公告）日：1998-07-07
• US5872224A
  申请人：——

  公开号：US5872224A

  公开（公告）日：1999-02-16