4-(羟甲基)-2-甲氧基苯甲酸甲酯 | 57757-74-1

• 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-(羟甲基)-2-甲氧基苯甲酸甲酯
• 英文名称: methyl 4-(hydroxymethyl)-2-methoxybenzoate
• CAS: 57757-74-1
• 化学式: C₁₀H₁₂O₄
• 分子量: 196.203
• InChiKey: SWNXCYIWLNORMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  344.2±32.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 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：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(羟甲基)-2-甲氧基苯甲酸甲酯 在 manganese(IV) oxide 、 sodium methylate 、 三溴化硼 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 64.5h， 生成 (E)-methyl 4-[3-(3,5-di-tert-butylphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoate
  参考文献：
  名称：

  Design, synthesis and biological evaluation of nuclear receptor-degradation inducers

  摘要：

  Compounds that regulate the function(s) of nuclear receptors (NRs) are useful for biological studies and as candidate therapeutic agents. Most such compounds are agonists or antagonists. On the other hand, we have developed specific protein degradation inducers, which we designated as SNIPERs (Specific and Nongenetic IAPs-dependent Protein ERasers), for selective degradation of target proteins. SNIPERs are hybrid molecules consisting of an appropriate ligand for the protein of interest, coupled to a ligand for inhibitor of apoptosis proteins (IAPs), which target the bound protein for polyubiquitination and proteasomal degradation. We considered that protein knockdown with SNIPERs would be a promising alternative approach for modulating NR function. In this study, we designed and synthesized degradation inducers targeting retinoic acid receptor (RAR), estrogen receptor (ER), and androgen receptor (AR). These newly synthesized RAR, ER, and AR SNIPERs, 9, 11, and 13, respectively, were confirmed to significantly reduce the levels of the corresponding NRs in live cells. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.09.041
• 作为产物：
  描述：

  4-甲基水杨酸甲酯 在 甲醇 、 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 sodium methylate 、 sodium hydride 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.33h， 生成 4-(羟甲基)-2-甲氧基苯甲酸甲酯
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMPOUNDS
  [FR] COMPOSÉS PHARMACEUTIQUES

  摘要：

  这项发明涉及抑制或调节Chk-1激酶活性的化合物。还提供了含有这些化合物的药物组合物以及这些化合物的治疗用途。

  公开号：

  WO2015120390A1

文献信息

• PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS
  申请人：Blumenfeld Marta

  公开号：US20090209586A1

  公开（公告）日：2009-08-20

  HPV inhibitors with formula (I) where G 1 represents a hydrocarbonated bond or chain possibly substituted by one or two alkyl groups, G 2 represents a group (see formula Ia+Ib) or R represents a hydrogen, an alkyl, halogenoalkyl, or a prodrug radical such as carbamate, acetyl or dialkylaminomethyl, G represents a bond or a hydrocarbonated chain possibly substituted by one or two alkyls, W represents an oxygen or sulphur, R 1 and R 2 each represent a group chosen from among hydrogen, halogen, hydroxyl, thio, alkoxy, halogenoalkoxy, alkylthio, halogenoalkylthio, amino, monoalkylamino, dialkylamino, cycloalkyl, alkyl or halogenoalkyl, R 3 represents an acid or a prodrug radical of the acid function or a bioisostere of the acid function, A represents an aryl, cycloalkyl, cycloalkenyl or a heterocycle, each possibly substituted, and B represents an aryl or a heterocycle with 6 chains, each possibly substituted, and pharmaceutically acceptable salts.

  HPV抑制剂的化学式（I），其中G1代表一个可能由一个或两个烷基基团取代的碳氢键或链，G2代表一个基团（见化学式Ia+Ib）或R代表氢、烷基、卤代烷基或类似碳酸酯、乙酰基或二烷基氨甲基的前药基团，G代表一个可能由一个或两个烷基取代的碳氢链或键，W代表氧或硫，R1和R2各自代表从氢、卤素、羟基、硫代基、烷氧基、卤代烷氧基、烷基硫代基、卤代烷基硫代基、氨基、单烷基氨基、二烷基氨基、环烷基、烷基或卤代烷基中选择的一个基团，R3代表酸或酸功能的前药基团或酸功能的生物同位素，A代表芳基、环烷基、环烯基或杂环，每个可能被取代，B代表具有6个链的芳基或杂环，每个可能被取代，并且具有药用上可接受的盐。
• Regioselective lithiation of II-(arene)chromium tricarbonyl complexes
  作者：Motokazu Uemura、Naomi Nishikawa、Yuji Hayashi

  DOI：10.1016/s0040-4039(00)71489-4

  日期：1980.1

  Chromium tricarbonyl complexes of 3-methoxybenzyl alcohol and related compounds were selectively lithiated at the 4-position in contrast to the corresponding metal free arene compounds. The resulting 4-lithio complexes were converted to the 4-substituted arene compounds in moderate to excellent yields through the reactions with proper electrophiles and subsequent demetalation.

  与相应的无金属芳烃化合物相反，将3-甲氧基苄醇的铬三羰基配合物和相关化合物在4-位选择性锂化。通过与适当的亲电试剂反应和随后的脱金属反应，以中等至优异的产率将所得的4-锂硫代配合物转化为4-取代的芳烃化合物。
• [EN] PHARMACEUTICAL COMPOUNDS<br/>[FR] COMPOSÉS PHARMACEUTIQUES
  申请人：ONCOTHYREON INC

  公开号：WO2015120390A1

  公开（公告）日：2015-08-13

  This invention relates to compounds that inhibit or modulate the activity of Chk-1 kinase. Also provided are pharmaceutical compositions containing the compounds and the therapeutic uses of the compounds.

  这项发明涉及抑制或调节Chk-1激酶活性的化合物。还提供了含有这些化合物的药物组合物以及这些化合物的治疗用途。
• Directed regioselective lithiation of (η6-arene) chromium tricarbonyl complexes
  作者：Motokazu Uemura、Kazuhiko Take、Kazuo Isobe、Tatsuya Minami、Yuji Hayashi

  DOI：10.1016/s0040-4020(01)91416-4

  日期：——

  (3-Methoxybenzylalcohol)chromium tricarbonyl (10) and (7-methoxy-1-tetralol)chromium tricarbonyl (12) are selectively lithiated at the 4- and 6-positions, respectively, by treatment with n-BuLi-TMEDA. Since the directed lithiation of the corresponding chromium free arenes normally proceeds at the 2-and 8-positions, complementarily substituted arenes can be prepared by using the chromium tricarbonyl complexes. The difierent

  通过用n-BuLi-TMEDA处理，将（3-甲氧基苄醇）三羰基铬（10）和（7-甲氧基-1-四醇）三羰基铬（12）分别在4-和6-位选择性地锂化。由于相应的无铬芳烃的定向锂化通常在2和8位进行，因此可以使用三羰基铬络合物制备互补取代的芳烃。锂化的不同位置通过（芳烃）Cr（CO）3中三羰基铬的相对构型和静电因子来解释。一些蒽醌，31，36，42，和7- hydroxycalamenenes，43，已经通过（η的装置通过立体和区域选择性引入取代基的合成6 -arene）铬三羰基复合物。
• Amide derivatives having ACAT inhibitory activity, their preparation and
  申请人：Sankyo Company, Limited

  公开号：US05880147A1

  公开（公告）日：1999-03-09

  Compounds of formula (I): ##STR1## wherein: R.sup.1 is alkyl; R.sup.2a, R.sup.2b, R.sup.2c and R.sup.2d are the same or different and each is hydrogen, optionally substituted alkyl, --(C.dbd.O)--B.sup.1 (wherein B.sup.1 is hydrogen or alkyl), nitro, --NR.sup.c R.sup.d (wherein R.sup.c is hydrogen or alkyl and Rd is alkyl), hydroxy, protected hydroxy group, alkoxy, cyano, alkylthio, alkylsulfinyl, alkylsulfonyl or halogen; R.sup.3 is alkyl; R.sup.4 is a group of the formula (II) ##STR2## wherein A.sup.1 is a single bond, alkylene or alkenylene; R.sup.5a and R.sup.5b are the same or different and each is hydrogen, alkyl or --A.sup.4 R.sup.5.sub.c wherein A is a single bond, alkylene or alkenylene and R.sup.5.sub.c is alkoxy; and n is 0, and pharmaceutically acceptable salts thereof. Such compounds have valuable inhibitory activity against acyl-CoA (cholesterol acyl transferase).

  式(I)的化合物：##STR1## 其中：R.sup.1是烷基；R.sup.2a、R.sup.2b、R.sup.2c和R.sup.2d相同或不同，且每个都是氢、可选取代烷基、--(C.dbd.O)--B.sup.1（其中B.sup.1是氢或烷基）、硝基、--NR.sup.c R.sup.d（其中R.sup.c是氢或烷基，Rd是烷基）、羟基、保护羟基、烷氧基、氰基、烷硫基、烷基亚磺酰基、烷基磺酰基或卤素；R.sup.3是烷基；R.sup.4是式（II）的基团：##STR2## 其中，A.sup.1是单键、烷基或烯基；R.sup.5a和R.sup.5b相同或不同，且每个都是氢、烷基或--A.sup.4 R.sup.5.sub.c（其中A是单键、烷基或烯基，R.sup.5.sub.c是烷氧基）；n为0，并且其药学上可接受的盐。这些化合物具有对酰基辅酶A（胆固醇酰基转移酶）的有价值的抑制活性。