4,5-dihydro-5-methyl-3-{(3-methylthiophene-2-yl)-isoxazole-5-yl}methanol | 869638-43-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 4,5-dihydro-5-methyl-3-{(3-methylthiophene-2-yl)-isoxazole-5-yl}methanol
• 英文别名: 4,5-Dihydro-5-methyl-3-(3-methyl-2-thienyl)-5-isoxazolemethanol；[5-methyl-3-(3-methylthiophen-2-yl)-4H-1,2-oxazol-5-yl]methanol
• CAS: 869638-43-7
• 化学式: C₁₀H₁₃NO₂S
• 分子量: 211.285
• InChiKey: XUPFLKNWDMTOQW-UHFFFAOYSA-N

物化性质

• 沸点：
  327.3±52.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5-dihydro-5-methyl-3-{(3-methylthiophene-2-yl)-isoxazole-5-yl}methanol 在 sodium hydroxide 作用下， 以 四氢呋喃 、 正己烷 、 异丙醇 为溶剂， 反应 1.75h， 生成 (S)-5-[(2,6-difluorobenzyloxy)methyl]-5-methyl-3-(3-methylthiophen-2-yl)-4,5-dihydroisoxazole
  参考文献：
  名称：

  Synthesis and Herbicidal Activities of Enantiopure Methiozolins

  摘要：

  DOI：

  10.5012/bkcs.2012.33.1.297
• 作为产物：
  描述：

  3-甲基噻吩醛 在 sodium hydroxide 、 N-氯代丁二酰亚胺 、 盐酸羟胺 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.75h， 生成 4,5-dihydro-5-methyl-3-{(3-methylthiophene-2-yl)-isoxazole-5-yl}methanol
  参考文献：
  名称：

  5-(2,6-Difluorobenzyl)oxymethyl-5-methyl-3-(3-methylthiophen-2-yl)- 1,2-isoxazoline as a Useful Rice Herbicide

  摘要：

  5-(2,6-Difluorobenzyl)oxymethyl-5-methyl-3-(3-methylthiophen-2-yl)-1,2-isoxazoline derivative was synthesized, and its herbicidal activity was assessed under glasshouse and flooded paddy conditions. 5-(2,6-Difluorobenzyl)oxymethyl-5-methyl-3-(3-methylthiophen-2-yl)-1,2-isoxazoline demonstrated good rice selectivity and potent herbicidal activity against annual weeds at 125 g of a.i. ha(-1) under greenhouse conditions. Soil application of this compound showed complete control of barnyardgrass to the fourth leaf stage at 250 g of a.i. ha(-1). Field trials indicated that this compound controlled annual weeds rapidly with a good tolerance on transplanted rice seedlings by postemergence and soil application. This compound showed a low mammalian and environmental toxicity in various toxicological tests.

  DOI：

  10.1021/jf051284f

文献信息

• INDUSTRIAL METHOD FOR THE PREPARATON OF HIGH-PURITY METHIOZOLIN
  申请人：Moghu Research Center Ltd.

  公开号：US20150158852A1

  公开（公告）日：2015-06-11

  Provided is an industrial method for the preparation of [5-(2,6-difluorobenzyloxy)methyl}-4,5-dihydro-5-methyl-3-(3-methylthiophene-2-yl)-isoxazole](common name: methiozolin) represented by Formula 1 that is a herbicidal substance in high-purity.

  提供一种工业方法，用于制备[5-(2,6-二氟苯基甲氧基)甲基}-4,5-二氢-5-甲基-3-(3-甲基噻吩-2-基)-异噁唑](通用名称：甲硫唑林)，该物质是高纯度的除草剂。
• 5-(2,6-Difluorobenzyl)oxymethyl-5-methyl-3-(3-methylthiophen-2-yl)- 1,2-isoxazoline as a Useful Rice Herbicide
  作者：In Taek Hwang、Hyoung Rae Kim、Dong Ju Jeon、Kyung Sik Hong、Jong Hwan Song、Kwang Yun Cho

  DOI：10.1021/jf051284f

  日期：2005.11.1

  5-(2,6-Difluorobenzyl)oxymethyl-5-methyl-3-(3-methylthiophen-2-yl)-1,2-isoxazoline derivative was synthesized, and its herbicidal activity was assessed under glasshouse and flooded paddy conditions. 5-(2,6-Difluorobenzyl)oxymethyl-5-methyl-3-(3-methylthiophen-2-yl)-1,2-isoxazoline demonstrated good rice selectivity and potent herbicidal activity against annual weeds at 125 g of a.i. ha(-1) under greenhouse conditions. Soil application of this compound showed complete control of barnyardgrass to the fourth leaf stage at 250 g of a.i. ha(-1). Field trials indicated that this compound controlled annual weeds rapidly with a good tolerance on transplanted rice seedlings by postemergence and soil application. This compound showed a low mammalian and environmental toxicity in various toxicological tests.
• INDUSTRIAL METHOD FOR MANUFACTURING HIGH-PURITY METHIOZOLINE
  申请人：Korea Research Institute of Chemical Technology

  公开号：EP2835371B1

  公开（公告）日：2016-10-26
• US9303022B2
  申请人：——

  公开号：US9303022B2

  公开（公告）日：2016-04-05
• Synthesis and Herbicidal Activities of Enantiopure Methiozolins
  作者：Jun-Ho Nam、Ki-Hwan Hwang、Suk-Jin Koo、Chong-Hyeak Kim、Chang-Woo Cho、Young-Kwan Ko

  DOI：10.5012/bkcs.2012.33.1.297

  日期：2012.1.20