3-bromo-5-methylsalicyl alcohol isopropylidene acetal | 83604-30-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 3-bromo-5-methylsalicyl alcohol isopropylidene acetal
• 英文别名: 6-bromo-4-methylsalicyl alcohol isopropylidene acetal；8-bromo-2,2,6-trimethyl-4H-1,3-benzodioxin；8-bromo-2,2,6-trimethyl-4H-1,3-benzodioxine
• CAS: 83604-30-2
• 化学式: C₁₁H₁₃BrO₂
• 分子量: 257.127
• InChiKey: ATLTZSRBBGEOBD-UHFFFAOYSA-N

物化性质

• 沸点：
  607.1±55.0 °C(Predicted)
• 密度：
  1.240±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-bromo-5-methylsalicyl alcohol isopropylidene acetal 在 palladium dichloride 盐酸 、 iron(II) acetylacetonate 、 氢气 、 仲丁基锂 作用下， 以 乙酸乙酯 为溶剂， -78.0 ℃ 、303.98 kPa 条件下， 反应 127.25h， 生成 2,2''''-dihydroxy-3,3'''',5,5',5'',5''',5''''-heptamethyl-2',2'',2'''-trimethoxy-1,1':3',1'':3'',1''':3''',1''''-quinquephenyl
  参考文献：
  名称：

  Host-guest complexation. 30. Quinquaryl and bis(urea) binders

  摘要：

  DOI：

  10.1021/ja00329a058
• 作为产物：
  描述：

  2-溴-4-甲基苯酚 在 氢氧化钾 、 对甲苯磺酸 作用下， 以 水 、 异丙醇 、 苯 为溶剂， 反应 24.0h， 生成 3-bromo-5-methylsalicyl alcohol isopropylidene acetal
  参考文献：
  名称：

  Host-guest complexation. 30. Quinquaryl and bis(urea) binders

  摘要：

  DOI：

  10.1021/ja00329a058

文献信息

• Substituted 1H-imidazoles
  申请人：U C B, S.A.

  公开号：US04814343A1

  公开（公告）日：1989-03-21

  New substituted 1H-imidazoles and their salts, processes for the preparation thereof and pharmaceutical compositions. These compounds have the formula ##STR1## wherein R.sub.1, R.sub.2, R.sub.3 and R.sub.5 =hydrogen or C.sub.1 -C.sub.4 -alkyl; R.sub.4 =hydrogen, C.sub.1 -C.sub.4 -alkyl or C.sub.1 -C.sub.4 -alkoxy; Y.sub.1 =hydrogen and Y.sub.2 =OZ.sub.2 or the reverse; Z.sub.1 =Z.sub.2 =hydrogen or C.sub.1 -C.sub.4 -alkyl or Z.sub.1 and Z.sub.2 =--CH.sub.2 -- or --C(CH.sub.3).sub.2 --. These compounds are prepared either by reducing a corresponding imidazole compound having a hydroxyl or alkoxy group on the methyl bridge between the imidazole and phenyl rings, or by hydrolyzing a 4-[[2,2-dimethyl-4H-1,3-benzodioxin-6(or 8)-yl]methyl]-1H-imidazole, or yet by reducing an alkyl 3-[(1H-imidazol-4-yl)methyl]-2-hydroxybenzoate. These compounds have cardiac, cerebral and tissular anti-ischemic activities.

  新型取代1H-咪唑及其盐类、制备方法及药物组合物。这些化合物具有如下通式##STR1##其中R1、R2、R3和R5为氢或C1-C4烷基；R4为氢、C1-C4烷基或C1-C4烷氧基；Y1为氢且Y2为OZ2或相反；Z1=Z2为氢或C1-C4烷基，或者Z1和Z2为--CH2--或--C(CH3)2--。这些化合物可通过还原具有咪唑环与苯环之间甲基桥上羟基或烷氧基的相应咪唑化合物来制备，或通过水解4-[[2,2-二甲基-4H-1,3-苯并二氧戊环-6(或8)-基]甲基]-1H-咪唑，或通过还原烷基3-[(1H-咪唑-4-基)甲基]-2-羟基苯甲酸酯来制备。这些化合物具有心脏、脑部及组织抗缺血活性。
• Studies on Enzyme-Cleavable Dialkoxymethyl-<i>cyclo</i>Saligenyl-2′,3′-dideoxy-2′,3′-didehydrothymidine Monophosphates
  作者：Nicolas Gisch、Jan Balzarini、Chris Meier

  DOI：10.1021/jm800853p

  日期：2008.11.13

  Recently we reported on conceptually new enzymatically activated cycloSal-pronucleotides. Now, we developed this concept further with new compounds of this type. The basic idea is fast intracellular cleavage of a functionalized group at the cycloSal residue that results in a rapid delivery of the nucleotide and thus an intracellular enrichment of the nucleotide. The introduction of a higher alkylated acylal group, the di-iso-butyryloxymethyl group, to the aromatic ring led to the expected higher stability of these prodrugs against enzymatic cleavage but also entailed surprisingly a decrease in hydrolysis stabilities and solubility problems. For some compounds, a separation of the two diastereomeric forms (R-P, or S-P) was achieved. By X-ray structure analysis, the absolute configuration at the P-atom was assigned. For all separated diastereomers the (S-P) form showed better antiviral activity than the (R-P) form.
• 1H-Imidazoles substitués
  申请人：U C B, S.A.

  公开号：EP0269599B1

  公开（公告）日：1993-12-15
• KATZ, H. E.;CRAM, D. J., J. AMER. CHEM. SOC., 1984, 106, N 17, 4977-4987
  作者：KATZ, H. E.、CRAM, D. J.

  DOI：——

  日期：——
• US4814343A
  申请人：——

  公开号：US4814343A

  公开（公告）日：1989-03-21