benzyl 4-bromo-2-formylbenzoate | 1361938-38-6

• 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: benzyl 4-bromo-2-formylbenzoate
• CAS: 1361938-38-6
• 化学式: C₁₅H₁₁BrO₃
• 分子量: 319.155
• InChiKey: CMVYXOGSZVBPQN-UHFFFAOYSA-N

物化性质

• 沸点：
  452.8±35.0 °C(Predicted)
• 密度：
  1.478±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl 4-bromo-2-formylbenzoate 在 水 、 difluoro-4-morpholinylsulfonium tetrafluoroborate 、 triethylamine tris(hydrogen fluoride) 、 lithium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 4-Bromo-2-(difluoromethyl)benzoic acid
  参考文献：
  名称：

  EP2612848

  摘要：

  公开号：
• 作为产物：
  描述：

  Benzyl 4-bromo-2-(hydroxymethyl)benzoate 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 以70 %的产率得到benzyl 4-bromo-2-formylbenzoate
  参考文献：
  名称：

  [EN] JAK2 INHIBITORS AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE JAK2 ET LEURS MÉTHODES D'UTILISATION

  摘要：

  The present disclosure relates to novel compounds and pharmaceutical compositions thereof, and methods for inhibiting the activity of JAK2 enzymes with the compounds and compositions of the disclosure. The present disclosure further relates to, but is not limited to, methods for treating disorders associated with JAK2 signaling with the compounds and compositions of the disclosure.

  公开号：

  WO2023027948A1

文献信息

• Asymmetric Cascade Aza-Henry/Lactamization Reaction in the Highly Enantioselective Organocatalytic Synthesis of 3-(Nitromethyl)isoindolin-1-ones from α-Amido Sulfones
  作者：Lorenzo Serusi、Laura Palombi、Giovanni Pierri、Antonia Di Mola、Antonio Massa

  DOI：10.1021/acs.joc.2c00518

  日期：2022.7.1

  The asymmetric synthesis of novel 3-substituted isoindolinones is herein reported. A new cascade reaction was developed that consisted of the asymmetric nitro-Mannich reaction of suitable α-amido sulfones designed from 2-formyl benzoates, followed by the in situ cyclization of the adducts. Very high enantioselectivities, up to 98% ee, and very good yields were obtained in the presence of the readily

  本文报道了新型 3-取代异吲哚啉酮的不对称合成。开发了一种新的级联反应，该反应包括由 2-甲酰苯甲酸酯设计的合适的 α-酰胺基砜的不对称硝基-曼尼希反应，然后加合物的原位环化。在容易获得的衍生自反式-1,2-二氨基环己烷的中性双功能有机催化剂（被称为 Takemoto 催化剂）的存在下，获得了非常高的对映选择性，高达 98% ee 和非常好的产率。对所得产物反应性的研究允许选择性 Boc 去保护或还原硝基，从而在不影响对映体纯度的情况下进一步官能化 3-取代的异吲哚啉酮。
• PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS
  申请人：IDORSIA PHARMACEUTICALS LTD

  公开号：US20210113559A1

  公开（公告）日：2021-04-22

  The present invention relates to pyrimidine derivatives of formula (I) wherein (R 1 ) n , R 3 , R 4a , R 4b , R 5a , R 5b and Ar 1 are as described in the description and their use in the treatment of cancer by modulating an immune response comprising a reactivation of the immune system in the tumor. The invention further relates to novel benzofurane and benzothiophene derivatives of formula (II) and their use as pharmaceuticals, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as modulators of the prostaglandin 2 receptors EP2 and/or EP4.