2-甲基丙基(4-溴-3-氟苯基)氨基甲酸酯 | 288570-67-2

• 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: 2-甲基丙基(4-溴-3-氟苯基)氨基甲酸酯
• 英文名称: 2-methylpropyl (4-bromo-3-fluorophenyl)carbamate
• 英文别名: 2-methylpropyl N-(4-bromo-3-fluorophenyl)carbamate
• CAS: 288570-67-2
• 化学式: C₁₁H₁₃BrFNO₂
• 分子量: 290.132
• InChiKey: AGDJSLIQSMMJEF-UHFFFAOYSA-N

物化性质

• 沸点：
  279.7±30.0 °C(Predicted)
• 密度：
  1.456±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲基丙基(4-溴-3-氟苯基)氨基甲酸酯 在 sodium periodate 、 正丁基锂 、 乙基溴化镁 、 BrClMg 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 、 水 为溶剂， 生成 2-methylpropyl [4-(3,6-dihydro-1-oxido-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate
  参考文献：
  名称：

  Stereodivergent synthesis of sulfoxide-containing oxazolidinone antibiotics

  摘要：

  Carbamate 5 was prepared under mild conditions via a novel metal-halogen exchange procedure without competing benzyne formation. Selection of an appropriate oxidation/reduction sequence afforded access to either the cis- or trans-1-oxo-4-aryltetrahydrothiopyran system, important intermediates in the synthesis of a new class of oxazolidinone antibiotics. (C) 2000 Elsevier Science Ltd, All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00631-6
• 作为产物：
  描述：

  3-fluorophenylcarbamic acid 2-methylpropyl ester 在 氨 、 盐酸 、 1,3-二溴-5,5-二甲基海因 、 sodium sulfite 作用下， 以 水 为溶剂， 反应 0.25h， 生成 2-甲基丙基(4-溴-3-氟苯基)氨基甲酸酯
  参考文献：
  名称：

  2-Fluoro-(oxid-thiopyran-4-yl)benzene derivatives

  摘要：

  公开号：

  EP1229033B8

文献信息

• Antimicrobial quinolone derivatives and use of the same to treat bacterial infections
  申请人：——

  公开号：US20030013737A1

  公开（公告）日：2003-01-16

  Substituted quinolone derivatives in which an oxazolidinone, isoxazolinone, or isoxazoline is covalently bonded to a quinolone, methods of using the quinolone derivatives, and pharmaceutical compositions containing the quinolone derivatives are disclosed. Methods of synthesizing these substituted quinolone derivatives are also disclosed, and in particular a method of manufacturing a 7-(2-oxo-1,3-oxazolidin-3-yl)aryl-3-quinolinecarboxylic acid by condensing a 4-(2-oxo-1,3-oxazolidin-5-yl)aryl boronic acid with a 7-halo-quinolone derivative. The quinolone derivatives possess antibacterial activity, and are effective against a number of human and veterinary pathogens in the treatment of bacterial diseases.

  揭示了一种将氧唑烷烷酮、异唑啉烷酮或异唑啉与喹诺酮共价结合的取代喹诺酮衍生物，以及使用这些喹诺酮衍生物的方法和含有这些喹诺酮衍生物的药物组合物。还公开了合成这些取代喹诺酮衍生物的方法，特别是通过将4-(2-氧唑烷-5-基)芳基硼酸与7-卤代喹诺酮衍生物缩合制备7-(2-氧唑烷-1,3-二烷基)芳基-3-喹诺酸的方法。这些喹诺酮衍生物具有抗菌活性，对治疗细菌疾病中的多种人类和兽医病原体有效。
• Process to prepare cyclic-sulfur fluorine containing oxazolidinones
  申请人：Pharmacia & Upjohn Company

  公开号：US06239283B1

  公开（公告）日：2001-05-29

  The invention is a process for the preparation of cyclic-sulfur fluorine containing oxazolidinone antibacterial agents which utilizes the important tetrahydrothiopyran-o-fluorinated carbamate of formula (IV)

  这项发明是一种制备含环硫氟氧唑啉酮抗菌剂的过程，利用了重要的式（IV）的四氢硫吡啶-O-氟代氨基甲酸酯。
• Novel oxazolidinone–quinolone hybrid antimicrobials
  作者：Mikhail F. Gordeev、Corinne Hackbarth、Michael R. Barbachyn、Lee S. Banitt、James R. Gage、Gary W. Luehr、Marcela Gomez、Joaquim Trias、Sara E. Morin、Gary E. Zurenko、Christian N. Parker、Jonathan M. Evans、Richard J. White、Dinesh V. Patel

  DOI：10.1016/j.bmcl.2003.07.021

  日期：2003.12

  Antimicrobial compounds incorporating oxazolidinone and quinolone pharmacophore substructures have been synthesized and evaluated. Representative analogues 2, 5, and 6 display an improved potency versus linezolid against gram-positive and fastidious gram-negative pathogens. The compounds are also active against linezolid- and ciprofloxacin-resistant Staphylococcus aureus and Enterococcus faecium strains. The MOA for these new antimicrobials is consistent with a combination of protein synthesis and gyrase A/topoisomerase IV inhibition, with a structure-dependent degree of the contribution from each inhibitory mechanism. (C) 2003 Elsevier Ltd. All rights reserved.
• Stereodivergent synthesis of sulfoxide-containing oxazolidinone antibiotics
  作者：James R Gage、William R Perrault、Toni-Jo Poel、Richard C Thomas

  DOI：10.1016/s0040-4039(00)00631-6

  日期：2000.6

  Carbamate 5 was prepared under mild conditions via a novel metal-halogen exchange procedure without competing benzyne formation. Selection of an appropriate oxidation/reduction sequence afforded access to either the cis- or trans-1-oxo-4-aryltetrahydrothiopyran system, important intermediates in the synthesis of a new class of oxazolidinone antibiotics. (C) 2000 Elsevier Science Ltd, All rights reserved.
• 2-Fluoro-(oxid-thiopyran-4-yl)benzene derivatives
  申请人：Pharmacia & Upjohn Company LLC

  公开号：EP1229033B8

  公开（公告）日：2005-06-15