1-溴-2-(溴甲基)-4-碘苯 | 289617-98-7

• 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: 1-溴-2-(溴甲基)-4-碘苯
• 中文别名: 2-溴-5-碘溴苄
• 英文名称: 1-bromo-2-bromomethyl-4-iodobenzene
• 英文别名: 1-Bromo-2-(bromomethyl)-4-iodobenzene
• CAS: 289617-98-7
• 化学式: C₇H₅Br₂I
• 分子量: 375.829
• InChiKey: ZUXVQLWVDZQCMV-UHFFFAOYSA-N

物化性质

• 熔点：
  112-114 °C(Solv: hexane (110-54-3))
• 沸点：
  332.5±32.0 °C(Predicted)
• 密度：
  2.391±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2903999090

反应信息

• 作为反应物：
  描述：

  1-溴-2-(溴甲基)-4-碘苯 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ copper(l) iodide 、 sodium hydride 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 18.08h， 生成 4-(4-bromo-3-((4-hydroxybutoxy)methyl)phenylethynyl)benzonitrile
  参考文献：
  名称：

  Porous Siloxane Linked Phenylacetylene Nitrile Silver Salts from Solid State Dimerization and Low Polymerization

  摘要：

  Three 3-fold symmetric rigid backbone phenylacetylene nitrile molecules have been prepared to which one to six hydroxy side chains have been attached. These molecules were cocrystallized with silver(I) trifluoromethanesulfonate (triflate) to form microcrystalline porous solids. X-ray powder data show that all three crystal structures are isotypic to the crystal structures found in previous single crystal studies on related systems. Structural models based on these earlier single crystal structures have theoretical powder patterns in reasonable agreement with the experimentally observed patterns. These crystalline materials were allowed to react with silyl triflates. H-1 NMR and X-ray powder studies show that the silyl triflate groups react with the alcohol terminated side chains to form siloxane linkages with retention of the initial crystal structure. In the case of 1,3,5-tris(4-((4-cyanophenyl)ethynyl)-2-((4-hydroxybutoxy)methyl)phenylethynyl)benzene, a phenylacetylene nitrile molecule with three alcohol side chains, the introduction of di-tert-butylsilyl bis(trifluoromethanesulfonate) resulted in the formation of low polymers with average weight molecular weight of 7 x 10(4). This polymerized material shows increased chemical robustness in contrast to the unpolymerized material. It is stable in a variety of solvents, including overnight exposure to boiling water. Exchange experiments with toluene show that this final material is still porous.

  DOI：

  10.1021/ja0009119
• 作为产物：
  描述：

  4-碘-2-甲基苯胺 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 硫酸 、 sodium nitrite 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 1-溴-2-(溴甲基)-4-碘苯
  参考文献：
  名称：

  一种2-溴-5-碘-苄醇的制备方法

  摘要：

  本发明涉及有机合成技术领域，公开一种2‑溴‑5‑碘‑苄醇的制备方法，包括如下步骤：S1.邻苯甲胺与相转移催化剂、碳酸氢铵、碘化试剂发生碘代反应，生成2‑甲基‑4‑碘苯胺；S2.2‑甲基‑4‑碘苯胺经重氮化、溴化反应，生成2‑溴‑4‑碘甲苯；S3.2‑溴‑4‑碘甲苯与引发剂、N‑溴代丁二酰亚胺反应，生成2‑溴‑4‑碘溴甲基苯；S4.2‑溴‑4‑碘溴甲基苯与碱反应，生成2‑溴‑5‑碘‑苄醇。本申请的制备方法，工艺操作简单、产生三废少、利于工业化生产；碘化后的产物无异构体产生，无需氢化锂铝还原，能够有效避免采用氢化锂铝还原时产生的大量氢气，引起的操作风险大的问题。

  公开号：

  CN113233957B

文献信息

• [EN] TRIAZOLONE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE TRIAZOLONE ET LEURS UTILISATIONS
  申请人：INCEPTION 2 INC

  公开号：WO2013134562A1

  公开（公告）日：2013-09-12

  The invention disclosed herein is directed to compounds of Formula (I) and pharmaceutically acceptable salts thereof, which are useful in the treatment of prostate, breast, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention also comprises pharmaceutical compositions comprising a therapeutically effective amount of compound of Formula (I), or a pharmaceutically acceptable salt thereof. The invention disclosed herein is also directed to methods of treating prostate, breast, ovarian, liver, kidney, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention disclosed herein is further directed to methods of treating prostate, breast, colon, pancreatic, chronic lymphocytic leukemia, melanoma and other cancers comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist. The compounds and pharmaceutical compositions of the invention are also useful in the treatment of viral infections, such as HCV infections and HIV infections. The invention disclosed herein is also directed to a methods of preventing the onset of and/or recurrence of acute and chronic myeloid leukemia, as well as other cancers, comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist.

  本发明涉及的化合物属于式(I)及其药学上可接受的盐，可用于治疗前列腺、乳腺、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症。该发明还包括含有式(I)化合物的治疗有效量或其药学上可接受的盐的药物组合物。本发明还涉及治疗前列腺、乳腺、卵巢、肝脏、肾脏、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法。本发明还涉及治疗前列腺、乳腺、结肠、胰腺、慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法，包括给予选择性PPARα拮抗剂的治疗有效量。本发明的化合物和药物组合物还可用于治疗病毒感染，如HCV感染和HIV感染。本发明还涉及一种预防急性和慢性骨髓性白血病以及其他癌症发作和/或复发的方法，包括给予选择性PPARα拮抗剂的治疗有效量。
• Facile synthesis of 2-(substitutedbenzylsulfanyl)-benzothiazoles and their antimicrobial activity screening
  作者：Vinod Kumar Ramanatham、V. S. R. Seshu Kumar Kotha、Raja Gopal Kotarkonda

  DOI：10.1002/jhet.5570420124

  日期：2005.1

  2-(substitutedbenzylsulfanyl)benzothiazoles by the reaction of 2-mercaptobenzothiazole and benzyl bromides in acetone/K2CO3 has been reported and the compounds have been screened for their potential antimicrobial activities.

  已经报道了通过2-巯基苯并噻唑和苄基溴化物在丙酮/ K 2 CO 3中的反应制备2-（取代的苄基硫烷基）苯并噻唑的简单方便的方法，并且已经筛选了化合物的潜在抗微生物活性。
• Facile synthesis and antimicrobial properties of 2-(substituted-benzylsulfanyl)-1<i>h</i>-benzimidazoles
  作者：Ramanatham Vinod Kumar、Kotarkonda Raja Gopal、Kotha V. S. R. Seshu Kumar

  DOI：10.1002/jhet.5570420722

  日期：2005.11

  2-benzylthiobenzirnidazoles by the reaction of 2-mercaptobenzimidazole and benzyl bromides in acetone/potassium carbonate condition has been reported and the compounds were screened for their potential antimicrobial activities.

  已经报道了在丙酮/碳酸钾条件下通过2-巯基苯并咪唑和苄基溴的反应制备2-苄基硫代苯并咪唑的简单方便的方法，并筛选了化合物的潜在抗菌活性。
• A Modular Synthesis of Teraryl‐Based α‐Helix Mimetics, Part 4: Core Fragments with Two Halide Leaving Groups Featuring Side Chains of Proteinogenic Amino Acids
  作者：Melanie Trobe、Julia Blesl、Martin Vareka、Till Schreiner、Rolf Breinbauer

  DOI：10.1002/ejoc.202101279

  日期：2022.5.6

  A series of para-bromoiodoarene compounds decorated with the side chains of all proteinogenic amino acids is reported. These fragments serve as building blocks for the modular assembly of teraryl-based α-helix mimetics via sequential Pd cross-coupling. Compared to our established iodotriflate approach, the new building blocks showed higher stability and better reactivity under cross-coupling conditions

  报道了一系列用所有蛋白原性氨基酸的侧链装饰的对溴碘芳烃化合物。这些片段用作通过顺序 Pd 交叉偶联对基于叔芳基的 α-螺旋模拟物进行模块化组装的构建块。与我们建立的碘化物方法相比，新的构建单元在交叉偶联条件下表现出更高的稳定性和更好的反应性。
• [EN] PET IMAGING AGENTS<br/>[FR] AGENTS POUR L'IMAGERIE PET
  申请人：AUBERSON YVES

  公开号：WO2016116875A1

  公开（公告）日：2016-07-28

  Preparation of novel 2-benzyl-5-methyl-2H-tetrazole derivatives of the formula (I) for use as PET imaging agents. The present invention relates to novel compounds of formula (I) their preparation and use as PET imaging agents for imaging techniques and diagnostics in the field of diseases and disorders mediated by or related to the enzyme autotaxin.

  制备新型的2-苄基-5-甲基-2H-四唑衍生物的公式（I），用作PET成像剂。本发明涉及公式（I）的新化合物，它们的制备以及作为PET成像剂在与自体磷脂酶相关的疾病和紊乱领域的成像技术和诊断中的用途。