3-溴-5-碘三氟甲苯 | 481075-59-6

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟甲苯系列
• 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: 3-溴-5-碘三氟甲苯
• 中文别名: 1-溴-3-碘-5-三氟甲基苯
• 英文名称: 1-bromo-3-iodo-5-(trifluoromethyl)benzene
• 英文别名: 3-Bromo-5-iodobenzotrifluoride
• CAS: 481075-59-6
• 化学式: C₇H₃BrF₃I
• 分子量: 350.905
• InChiKey: UUSDLIJKOZKUEB-UHFFFAOYSA-N

物化性质

• 沸点：
  237.5±40.0 °C(Predicted)
• 密度：
  2.176±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  12
• 可旋转键数：
  0
• 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：
  3

安全信息

• 海关编码：
  2903999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3-溴-5-碘三氟甲苯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 3-(2-hydroxyethyl)-5-(trifluoromethyl)benzoic acid
  参考文献：
  名称：

  Fluoro- or Trifluoromethyl-Substituted Benzyl and Phenethyl Alcohols: Substrates for Metal-Mediated Site-Selective Functionalization

  摘要：

  It was possible to functionalize the three fluorobenzyl alcohols and the three 2-(fluorophenyl)ethanols by metalation and subsequent carboxylation, the prototype electrophilic trapping reaction. Thisopropylsilyl (TIPS) outperformed methoxymethyl (MOM) as an O-protective group making seven new fluorobenzoic acids accessible in 63% average yield. Moreover, the TIPS group tolerates weakly basic and acidic media and, therefore, may facilitate further structural eldboration. The unprotected alcohols reacted more sluggishly and were unable to provide two of the targeted products (acids 1 and 2). The yield averaged only 46% in the five other cases (acids 3-7). The direct metalation of fluorinated benzyl and phenethyl alcohols remains nevertheless an attractive option because of its operational simplicity. All three (trifluoromethyl) benzyl alcohols and two of the three (trifluoromethyl)phenethyl alcohol isomers were successfully submitted to the metalation/functionalization sequence. These five starting materials gave rise to a total of nine new benzoic acids or lactones (compounds 8-14 and 17-18). Despite the poor yields (31% on average), the organometallic methods employed are, in general, extremely selective, economical and easy to perform.

  DOI：

  10.1002/1099-0690(200208)2002:15<2508::aid-ejoc2508>3.0.co;2-c
• 作为产物：
  描述：

  3-溴-4-碘三氟甲苯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.0h， 生成 3-溴-5-碘三氟甲苯
  参考文献：
  名称：

  Fluoro- or Trifluoromethyl-Substituted Benzyl and Phenethyl Alcohols: Substrates for Metal-Mediated Site-Selective Functionalization

  摘要：

  It was possible to functionalize the three fluorobenzyl alcohols and the three 2-(fluorophenyl)ethanols by metalation and subsequent carboxylation, the prototype electrophilic trapping reaction. Thisopropylsilyl (TIPS) outperformed methoxymethyl (MOM) as an O-protective group making seven new fluorobenzoic acids accessible in 63% average yield. Moreover, the TIPS group tolerates weakly basic and acidic media and, therefore, may facilitate further structural eldboration. The unprotected alcohols reacted more sluggishly and were unable to provide two of the targeted products (acids 1 and 2). The yield averaged only 46% in the five other cases (acids 3-7). The direct metalation of fluorinated benzyl and phenethyl alcohols remains nevertheless an attractive option because of its operational simplicity. All three (trifluoromethyl) benzyl alcohols and two of the three (trifluoromethyl)phenethyl alcohol isomers were successfully submitted to the metalation/functionalization sequence. These five starting materials gave rise to a total of nine new benzoic acids or lactones (compounds 8-14 and 17-18). Despite the poor yields (31% on average), the organometallic methods employed are, in general, extremely selective, economical and easy to perform.

  DOI：

  10.1002/1099-0690(200208)2002:15<2508::aid-ejoc2508>3.0.co;2-c

文献信息

• SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS
  申请人：Scott Ian L.

  公开号：US20100093865A1

  公开（公告）日：2010-04-15

  Provided are sulphur-linked compounds, pharmaceutical compositions thereof, and methods of treating ophthalmic diseases and disorders, such as age-related macular degeneration and Stargardt's Disease, using said compounds and compositions.

  提供的是硫连接化合物、其药物组合物以及使用所述化合物和组合物治疗眼科疾病和障碍的方法，例如年龄相关的黄斑变性和斯达加特病。
• Nonafluoro-<i>tert</i>-butoxylation of Diaryliodonium Salts
  作者：Huan Meng、Lixian Wen、Zhenchuang Xu、Yipeng Li、Jian Hao、Yanchuan Zhao

  DOI：10.1021/acs.orglett.9b01813

  日期：2019.7.5

  and scalability. In comparison with the conventional approach, this method avoids the use of nonafluoro-tert-butyl alcohol as the reaction solvent and does not require handling of hazardous diazonium salts. A series of OC(CF3)3-containing analogues of 19F NMR-based probes targeting various biologically relevant analytes are prepared.

  开发了一种将九氟叔丁氧基结合到各种芳烃中的高效方法。在没有过渡金属催化剂且官能团耐受性和可扩展性良好的情况下，这种C-O交叉偶联反应可以顺利进行。与常规方法相比，该方法避免了使用九氟叔丁醇作为反应溶剂，并且不需要处理有害的重氮盐。制备了一系列针对各种生物相关分析物的19 F NMR基探针的一系列含OC（CF 3）3的类似物。
• [EN] TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DU FACTEUR DE TRANSCRIPTION À DOMAINE ASSOCIÉ TRANSCRIPTIONNEL AMÉLIORÉ (TEAD) ET LEURS UTILISATIONS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2020081572A1

  公开（公告）日：2020-04-23

  Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, compositions, and mixtures thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating and/or preventing diseases (e.g., proliferative diseases (e.g., cancers, such as carcinoma, sarcoma, lung cancer, thyroid cancer, skin cancer, ovarian cancer, colorectal cancer, prostate cancer, pancreatic cancer, esophageal cancer, liver cancer, breast cancer)) in a subject. Provided are methods of inhibiting a TEAD transcription factors (e.g., TEAD1, TEAD2, TEAD3, TEAD4) in a subject.

  本文提供了式（I）的化合物，以及药用盐、溶剂合物、水合物、多晶型、共晶体、互变异构体、立体异构体、同位素标记衍生物、前药、组合物和混合物。还提供了涉及创新化合物或组合物的治疗和/或预防疾病（如增殖性疾病（如癌症，如癌症，肉瘤，肺癌，甲状腺癌，皮肤癌，卵巢癌，结直肠癌，前列腺癌，胰腺癌，食管癌，肝癌，乳腺癌））的方法和试剂盒。提供了在受试者中抑制TEAD转录因子（如TEAD1、TEAD2、TEAD3、TEAD4）的方法。
• Room Temperature Cu-Catalyzed <i>N</i>-Arylation of Oxazolidinones and Amides with (Hetero)Aryl Iodides
  作者：Subhajit Bhunia、Subhadip De、Dawei Ma

  DOI：10.1021/acs.orglett.2c00122

  日期：2022.2.11

  an apposite promoter for the Cu-catalyzed N-arylation of oxazolidinones and primary and secondary amides with (hetero)aryl iodides at room temperature. Excellent chemoselectivity reached between aryl iodides and aryl bromides, and a wide range of functional groups tolerated the reaction conditions, which led to the formation of greatly diverse N-arylation products.

  N , N '-Bis(pyridin-2-ylmethyl)oxalamide (BPMO) 被发现是 Cu 催化的恶唑烷酮和伯胺和仲胺在室温下与（杂）芳基碘化物的N-芳基化的合适促进剂。芳基碘化物和芳基溴化物之间达到了优异的化学选择性，并且广泛的官能团可以耐受反应条件，从而导致形成多种多样的N-芳基化产物。
• [EN] AMIDES AS KINASE INHIBITORS<br/>[FR] AMIDES UTILISÉS EN TANT QU'INHIBITEURS DES KINASES
  申请人：SYNTECH SOLUTION LLC

  公开号：WO2010096395A1

  公开（公告）日：2010-08-26

  The present invention is directed to amides, and pharmaceutical compositions thereof, which are inhibitors of kinases such as BCR AbI, FLT3, c-Kit, KDR, LCK, Epha2 and PDGFR subfamily and are useful in the treatment of cancer and other diseases related to the dysregulation of kinase pathways.

  本发明涉及酰胺及其药物组合物，它们是BCR AbI、FLT3、c-Kit、KDR、LCK、Epha2和PDGFR亚家族的激酶抑制剂，可用于治疗癌症和与激酶通路失调相关的其他疾病。