methyl 3-(benzyloxy)-2-methoxybenzoate | 2169-24-6

• 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 3-(benzyloxy)-2-methoxybenzoate
• 英文别名: Methyl-3-benzyloxy-2-methoxy-benzoat；Methyl 2-methoxy-3-phenylmethoxybenzoate
• CAS: 2169-24-6
• 化学式: C₁₆H₁₆O₄
• 分子量: 272.301
• InChiKey: CMOQJSVPLODKGQ-UHFFFAOYSA-N

物化性质

• 沸点：
  168-170 °C(Press: 1 Torr)
• 密度：
  1.153±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-(benzyloxy)-2-methoxybenzoate 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 25.0 ℃ 、98.06 kPa 条件下， 以74%的产率得到3-羟基-2-甲氧基苯甲酸甲酯
  参考文献：
  名称：

  An efficient synthesis of the naphthalene subunits of the protein kinase C inhibitor calphostin C

  摘要：

  An efficient synthesis of bromonaphthalenes 5b-c, which represent suitably functionalized precursors to the perylenequinone ring system characteristic of the protein kinase C inhibitor calphostin C (1), is described and was based on the Diels-Alder reaction of omicron-quinol acetate 7 with 1,1,3-trioxygenated butadienes 6a-c, followed by selective, acid-promoted elimination of R3SiOH and AcOH to directly afford naphthalenes 11a-c.

  DOI：

  10.1021/jo00004a006
• 作为产物：
  描述：

  苯甲酸,二羟基- 在 盐酸 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 3-(benzyloxy)-2-methoxybenzoate
  参考文献：
  名称：

  An efficient synthesis of the naphthalene subunits of the protein kinase C inhibitor calphostin C

  摘要：

  An efficient synthesis of bromonaphthalenes 5b-c, which represent suitably functionalized precursors to the perylenequinone ring system characteristic of the protein kinase C inhibitor calphostin C (1), is described and was based on the Diels-Alder reaction of omicron-quinol acetate 7 with 1,1,3-trioxygenated butadienes 6a-c, followed by selective, acid-promoted elimination of R3SiOH and AcOH to directly afford naphthalenes 11a-c.

  DOI：

  10.1021/jo00004a006

文献信息

• [EN] POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER<br/>[FR] AMIDES POLYCYCLIQUES UTILISÉS EN TANT QUE MODULATEURS D'UBE2K POUR LE TRAITEMENT DU CANCER
  申请人：BERG LLC

  公开号：WO2021138540A1

  公开（公告）日：2021-07-08

  Provided are compounds of Formula (I) and pharmaceutically acceptable salts and compositions thereof, which are useful for treating conditions associated with modulation of UBE2K.

  提供的是Formula (I)的化合物及其药用盐和组合物，可用于治疗与UBE2K调节相关的疾病。
• UBE2K modulators and methods for their use
  申请人：Berg LLC

  公开号：US11091447B2

  公开（公告）日：2021-08-17

  Provided are compounds of Formula (I): and pharmaceutically acceptable salts and compositions thereof, which are useful for treating conditions associated with modulation of UBE2K.

  提供的是式 (I) 化合物： 及其药学上可接受的盐类和组合物，可用于治疗与 UBE2K 调节相关的疾病。
• COLEMAN, ROBERT S.;GRANT, EUGENE B., J. ORG. CHEM., 56,(1991) N, C. 1357-1359
  作者：COLEMAN, ROBERT S.、GRANT, EUGENE B.

  DOI：——

  日期：——
• UBE2K MODULATORS AND METHODS FOR THEIR USE
  申请人：Berg LLC

  公开号：US20210214320A1

  公开（公告）日：2021-07-15

  Provided are compounds of Formula (I): and pharmaceutically acceptable salts and compositions thereof, which are useful for treating conditions associated with modulation of UBE2K.