1-(benzo[d][1,3]dioxol-5-yl)-2,2-dibromoethan-1-one | 783321-45-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1-(benzo[d][1,3]dioxol-5-yl)-2,2-dibromoethan-1-one
• 英文别名: 1-(2H-1,3-Benzodioxol-5-yl)-2,2-dibromoethan-1-one；1-(1,3-benzodioxol-5-yl)-2,2-dibromoethanone
• CAS: 783321-45-9
• 化学式: C₉H₆Br₂O₃
• 分子量: 321.953
• InChiKey: LSCBWWHYKHBDSF-UHFFFAOYSA-N

物化性质

• 熔点：
  101 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
• 沸点：
  363.5±42.0 °C(Predicted)
• 密度：
  2.026±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(benzo[d][1,3]dioxol-5-yl)-2,2-dibromoethan-1-one 在 水 、 1-methyl-3-pentyl-1H-imidazolium tetrafluoroborate 作用下， 125.0 ℃ 、344.74 kPa 条件下， 反应 0.12h， 以70%的产率得到3,4-亚甲二氧苯乙酮
  参考文献：
  名称：

  Ionic liquid promoted selective debromination of α-bromoketones under microwave irradiation

  摘要：

  The debrontination of alpha-bromoketones with an easily accessible ionic liquid, 1-methyl-3-pentylimidazolium tetrafluoroborate, [pmIm]BF4 under microwave irradiation has been investigated. By controlling the reaction time gem-alpha-dibromoketones are selectively debrominated to either monobromo or debromoketones. The alpha-monobromo- and alpha-monoiodoketones are dehalogenated while the corresponding chloroketones remain inert. The activated vic-bromoacetates are converted to the corresponding (E)-alkenes by the same procedure. These reactions do not require any organic solvent, any metal or any conventional reducing agent. The ionic liquid works here as catalyst as well as reaction medium and is recycled without any appreciable loss of its catalytic efficiency. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.10.035
• 作为产物：
  描述：

  5-乙炔苯并[1,3]间二氧杂环戊烯 在 亚乙基硫脲 、 1,3-dibromo-5,5-dimethylhydantoin 、 水 作用下， 以81%的产率得到1-(benzo[d][1,3]dioxol-5-yl)-2,2-dibromoethan-1-one
  参考文献：
  名称：

  通过未活化炔烃与1,3-二卤代-5,5-二甲基乙内酰脲的催化级联反应，水控选择性制备[小α]-单或[小α] [小[伯或分钟]-二卤代酮

  摘要：

  已经开发了通过水控制的化学发散和区域​​特异性级联反应选择性合成[小α]-单或[小α]，[小α] [伯或分钟]-二卤代酮的有效方案。

  DOI：

  10.1039/c7gc00283a

文献信息

• Diaminothiazoles having antiproliferative activity
  申请人：——

  公开号：US20020151554A1

  公开（公告）日：2002-10-17

  Disclosed are novel diaminothiazoles that are selective inhibitors of Cdk4. These compounds and their pharmaceutically acceptable salts and esters are anti-proliferative agents useful in the treatment or control of solid tumors, in particular breast, colon, lung and prostate tumors. Also disclosed are pharmaceutical compositions containing these compounds as well as intermediates useful in the preparation of the compounds.

  揭示了一种新型的二氨基噻唑，它们是Cdk4的选择性抑制剂。这些化合物及其药学上可接受的盐和酯是抗增殖剂，在治疗或控制实体肿瘤，特别是乳腺、结肠、肺和前列腺肿瘤方面非常有用。还公开了含有这些化合物的药物组合物，以及制备这些化合物的中间体。
• DIAMINOTHIAZOLES
  申请人：——

  公开号：US20040006058A1

  公开（公告）日：2004-01-08

  The present invention is directed to novel diaminothiazoles of formula 1 These compounds inhibit cyclin-dependent kinase 4 (Cdk4) and are selective against Cdk2 and Cdk1. These compounds and their pharmaceutically acceptable salts and esters have antiproliferative activity and are useful in the treatment or control of cancer, in particular solid tumors. This invention is also directed to pharmaceutical compositions containing such compounds and to methods of treating or controlling cancer, most particularly the treatment 6r control of breast, lung and colon and prostate tumors.

  本发明涉及一种新型的formula1的二氨基噻唑化合物。这些化合物抑制细胞周期依赖性激酶4（Cdk4），并且对Cdk2和Cdk1具有选择性。这些化合物及其药学上可接受的盐和酯具有抗增殖活性，并且在治疗或控制癌症，特别是固体肿瘤方面具有用途。本发明还涉及含有这些化合物的药物组合物，以及治疗或控制癌症的方法，尤其是治疗或控制乳腺、肺部、结肠和前列腺肿瘤的方法。
• Switchable Synthesis of α,α‐Dihalomethyl and α,α,α‐Trihalomethyl Ketones by Metal‐Free Decomposition of Enaminone C=C Double Bond
  作者：Yunyun Liu、Jin Xiong、Li Wei、Jie‐Ping Wan

  DOI：10.1002/adsc.201901234

  日期：2020.2.21

  (BPO) with mild heating, enabling the tunable synthesis of α,α‐dihalomethyl ketones and α,α,α‐trihalomethyl ketones under different reaction conditions. The formation of these divergent products involving featured C=C double bond cleavage requires no any metal reagent, and represents one more practical example on the synthesis of poly halogenated methyl ketones via the functionalization of carbon−carbon

  通过在过氧化苯甲酰（BPO）存在下使用N-卤代琥珀酰亚胺（NXS）并温和加热，实现了基于氨基自由基的C = C双键的新型基于自由基的裂解，从而实现了可调谐合成α，α-二卤代甲基酮和不同反应条件下的α，α，α-三卤代甲基酮 这些具有特征性的C = C双键断裂的发散产物的形成不需要任何金属试剂，并且代表了通过碳-碳键官能化合成多卤代甲基酮的一个更实际的例子。
• Dihydroxyphenyl derivatives for hepatoprotection and treatment of liver diseases
  申请人：Choongwae Pharm. Co., Ltd.

  公开号：US20030083326A1

  公开（公告）日：2003-05-01

  The present invention relates to a pharmaceutical composition for the hepatoprotection and treatment of liver diseases comprising as an active ingredient a dihydroxyphenyl derivative represented by the following formula (1), pharmaceutically acceptable acid addition salt or stereochemical isomer thereof together with a pharmaceutically acceptable inert carrier: 1 in which in which A, B, D and E are defined as described in the specification.

  本发明涉及一种用于肝脏保护和治疗肝病的药物组合物，其活性成分为以下式（1）所代表的二羟基苯基衍生物，其药学可接受的酸盐或立体化学异构体，以及药学可接受的惰性载体：其中A、B、D和E如规范中所述定义。
• Silver Acetate Mediated Acetoxylations of Alkyl Halides
  作者：Susana Porcel、Roberto Nolla-Saltiel、Ulises Carrillo-Arcos

  DOI：10.1055/s-0033-1338551

  日期：——

  Abstract Silver acetate promotes the acetoxylation of alkyl halides under neutral reaction conditions. The reaction is applicable to primary and activated secondary alkyl halides, and 2,2-dibromoacetophenones for preparing the corresponding acetates in good yields. The presence of ester, amide, nitrile, hydroxy, and OTBDMS functions on the substrate is tolerated. Silver acetate promotes the acetoxylation

  摘要 乙酸银在中性反应条件下促进卤代烷的乙酰氧基化。该反应适用于伯和活化的仲烷基卤化物和2，2-二溴苯乙酮，以高收率制备相应的乙酸酯。可以耐受底物上酯，酰胺，腈，羟基和OTBDMS功能的存在。 乙酸银在中性反应条件下促进卤代烷的乙酰氧基化。该反应适用于伯和活化的仲烷基卤化物和2，2-二溴苯乙酮，以高收率制备相应的乙酸酯。可以耐受底物上酯，酰胺，腈，羟基和OTBDMS功能的存在。