4-Brommethyl-2-hydroxy-benzoesaeureethylester | 84054-95-5

• 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-Brommethyl-2-hydroxy-benzoesaeureethylester
• 英文别名: ethyl 4-(bromomethyl)-2-hydroxybenzoate；ethyl 4-bromomethylsalicylate
• CAS: 84054-95-5
• 化学式: C₁₀H₁₁BrO₃
• 分子量: 259.1
• InChiKey: DUUKRYMVYJNJSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Brommethyl-2-hydroxy-benzoesaeureethylester 在 溶剂黄146 作用下， 以 氯仿 为溶剂， 反应 5.33h， 生成 2-Hydroxy-4-[(Z)-methyliminomethyl]-benzoic acid ethyl ester
  参考文献：
  名称：

  抗分枝杆菌 N-烷基苄胺：4-氨基甲基-2-羟基-苯甲酸及其同系物的合成和测试

  摘要：

  4-氨基甲基-2-羟基-苯甲酸和N-烷基同系物（N-CH3 bis）的合成和抗分枝杆菌作用（M.tuberculosis H 37 Ra和M.tuberculosis H 37 Rv，MIC> 250 μg/ml） N-C4H9)。

  DOI：

  10.1002/ardp.19823151109
• 作为产物：
  描述：

  乙基2-羟基-4-甲基苯甲酸酯 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 3.0h， 以70%的产率得到4-Brommethyl-2-hydroxy-benzoesaeureethylester
  参考文献：
  名称：

  抗分枝杆菌 N-烷基苄胺：4-氨基甲基-2-羟基-苯甲酸及其同系物的合成和测试

  摘要：

  4-氨基甲基-2-羟基-苯甲酸和N-烷基同系物（N-CH3 bis）的合成和抗分枝杆菌作用（M.tuberculosis H 37 Ra和M.tuberculosis H 37 Rv，MIC> 250 μg/ml） N-C4H9)。

  DOI：

  10.1002/ardp.19823151109

文献信息

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

  公开号：US05847192A1

  公开（公告）日：1998-12-08

  Boron compound complexing reagents and methods of synthesizing these reagents are disclosed. These reagents, including those shown as General Formula I and General Formula II may be used, after further reactions described herein, to complex with boronic compounds, such as phenylboronic acid or derivatives thereof. ##STR1##

  公开了硼化合物络合试剂及合成这些试剂的方法。这些试剂，包括通用化学式I和通用化学式II所示的试剂，经过本文所述的进一步反应后，可用于与硼化合物（如苯硼酸或其衍生物）形成络合物。
• Boronic compound complexing reagents and highly stable complexes
  申请人：Prolinx, Inc.

  公开号：US05837878A1

  公开（公告）日：1998-11-17

  Boron compound complexing reagents, boron compound complexes, and methods of synthesizing these reagents and complexes are disclosed. These reagents and complexes include those shown in General Formula CIII, General Formula CIV, and General Formula CVI. In one embodiment, the reagents of General Formula CIII may be used to produce, after condensation with a bioactive species (BAS), the reagent of General Formula CIV. The reagent of General Formula CIV may be used to form a complex with a boron compound, such as a complex shown in General Formula CVI. ##STR1##

  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。
• 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。
• MEINDL, W.;ANGERER, E. V.;RUCKDESCHEL, G.;SCHOENENBERGER, H., ARCH. PHARM., 1982, 315, N 11, 941-946
  作者：MEINDL, W.、ANGERER, E. V.、RUCKDESCHEL, G.、SCHOENENBERGER, H.

  DOI：——

  日期：——
• 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