3-chloro-5-bromomethylisoxazole | 118066-90-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 3-chloro-5-bromomethylisoxazole
• 英文别名: 5-bromomethyl-3-chloroisoxazole；5-(bromomethyl)-3-chloro-1,2-oxazole
• CAS: 118066-90-3
• 化学式: C₄H₃BrClNO
• 分子量: 196.431
• InChiKey: VIFJEILPRNYQMV-UHFFFAOYSA-N

物化性质

• 沸点：
  90-91 °C(Press: 10 Torr)
• 密度：
  1.837±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-chloro-5-bromomethylisoxazole 、 三苯基膦 以 氯仿 为溶剂， 生成 (3-Chloro-isoxazol-5-ylmethyl)-triphenyl-phosphonium; bromide
  参考文献：
  名称：

  Synthesis and Evaluation of 2β-0xyimino and Alkenylpenicillanic Acid Sulfone Derivatives as β-Lactamase Inhibitors

  摘要：

  The synthesis and in vitro synergies of 2 beta-alkenyl and oxyiminopenam sulfone derivatives are described. Most of the compounds synthesized exhibited good inhibitory activities and synergistic antibacterial activities with piperacillin and ceftriaxone, respectively, against several beta-lactamase producing strains. Particularly the 2 beta-alkenylpenam sulfone derivatives. 1e and 1g, showed good synergistic activity with ceftriaxone against Citrobacter freundi NIH 10018-68 and Proteus vulgaris 20. Also the compounds 2a, 2c, and 2f, 2 beta-oxyiminopenam sulfone derivatives, exhibited improved synergistic activity with piperacillin against Citrobacter freundi NIH 10018-68.

  DOI：

  10.1002/(sici)1521-4184(19991)332:1<7::aid-ardp7>3.0.co;2-m
• 作为产物：
  描述：

  3-溴丙炔 在 N-氯代丁二酰亚胺 、 potassium hydrogencarbonate 作用下， 以 甲醚 、 氯仿 、 甲苯 为溶剂， 生成 3-chloro-5-bromomethylisoxazole
  参考文献：
  名称：

  Pesticidal compounds

  摘要：

  分子式为：##STR1##其中R.sup.1是氢或烷基；Q是一个连接基，其分子式为--CHR.sup.2--或--CHR.sup.3--CHR.sup.4--，其中R.sup.2是氢或烷基，R.sup.3是氢或烷基，R.sup.4是氢或烷基；X是氮或.dbd.CH-；Z是卤素，具有杀虫活性。还公开了制备该化合物的方法以及将其用作杀虫剂的方法。

  公开号：

  US05360906A1

文献信息

• Benzisoxazole Compound
  申请人：Sasaki Atsushi

  公开号：US20090318690A1

  公开（公告）日：2009-12-24

  Disclosed is a compound represented by the general formula (I) or a salt thereof: wherein any one of R1, R2 and R3 represents a group represented by the formula: —(CH 2 )m-NR11R12 (wherein m is 1 or 2; and R11 and R12 independently represent a hydrogen atom or a C1-6 alkyl group or may, together with a nitrogen atom to which R11 and R12 are bound, form a 4- or 5-membered cyclic group); the remaining two or R1, R2 and R3 independently represent a group represented by the formula: —(O)n-R21 (wherein n is 0 or 1; and R21 represents a hydrogen atom, a C1-6 alkyl group, a C2-6 alkenyl group, a C2-6 alkynyl group, or the like); and R4 represents a C1-6 alkyl group which may have a substituent or the like.

  本发明涉及一种由通式（I）表示的化合物或其盐：其中R1、R2和R3中的任意一个表示公式表示的基团：—（CH2）m-NR11R12（其中m为1或2；R11和R12独立地表示氢原子或C1-6烷基或可能与R11和R12结合的氮原子一起形成4-或5-成员环状基团）；剩余的两个或R1、R2和R3独立地表示公式表示的基团：—（O）n-R21（其中n为0或1；R21表示氢原子、C1-6烷基、C2-6烯基、C2-6炔基等）；R4表示可能具有取代基的C1-6烷基。
• Chloronitroacetyl chloride in the synthesis of 3-chloroisoxazoles
  作者：S. V. Kovalenko、V. I. Gorin、I. V. Martynov

  DOI：10.1007/bf00957202

  日期：1989.6
• Synthesis and biological activity of 1β-methyl-2-[5′-isoxazoloethenylpyrrolidin-3′-ylthio]carbapenems
  作者：Dong Jin Kim、Kyung Jae Seo、Kyung Seok Lee、Kye Jung Shin、Kyung Ho Yoo、Dong Chan Kim、Sang Woo Park

  DOI：10.1016/s0960-894x(00)00575-8

  日期：2000.12

  A new series of 1 beta -methylcarbapenems 1a-i bearing isoxazoloethenyl groups on the pyrrolidine ring has been prepared and evaluated for in vitro antibacterial activity and stability to DHP-I. Most compounds showed excellent antibacterial activity and high stability to DHP-I superior to that of meropenem. Of these new carbapenems, 1a,b,h exhibited the best combination of antibacterial activity and DHP-I stability. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Ciarino, Dario; Napoletano, Mauro; Sala, Alberto, Synthetic Communications, 1988, vol. 18, # 10, p. 1171 - 1178
  作者：Ciarino, Dario、Napoletano, Mauro、Sala, Alberto

  DOI：——

  日期：——
• KOVALENKO, S. V.;GORIN, V. I.;MARTYNOV, I. V., IZV. AN CCCP. CEP. XIM.,(1989) N, S. 1454
  作者：KOVALENKO, S. V.、GORIN, V. I.、MARTYNOV, I. V.

  DOI：——

  日期：——