2-(1-Hydroxy-1-methyl)ethyl-3-(t-butoxycarbonylamino)thiophene | 183677-44-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-(1-Hydroxy-1-methyl)ethyl-3-(t-butoxycarbonylamino)thiophene
• 英文别名: tert-butyl N-[2-(2-hydroxypropan-2-yl)thiophen-3-yl]carbamate
• CAS: 183677-44-3
• 化学式: C₁₂H₁₉NO₃S
• 分子量: 257.354
• InChiKey: OIELFAIOSIIWLW-UHFFFAOYSA-N

物化性质

• 沸点：
  332.4±32.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  86.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(1-Hydroxy-1-methyl)ethyl-3-(t-butoxycarbonylamino)thiophene 在 potassium hydrogen sulphate 、 乙酸酐 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以60%的产率得到3-t-butoxycarbonylamino-2-isopropenylthiophene
  参考文献：
  名称：

  Substituted thiophene derivative and agricultural and horticultural

  摘要：

  本发明的取代噻吩衍生物，其通式（1）所代表的具有广泛病害谱的病原真菌，对各种作物具有出色的控制效果，特别是对灰霉病、白粉病和锈病等病害有杰出的控制效果。同时，对传统杀菌剂的抗性真菌也具有有效性，这已成为一个严重问题，因此对农业和园艺杀菌剂非常有用。

  公开号：

  US05747518A1

文献信息

• Substituted thiophene derivative and plant disease control agent
  申请人：Mitsui Chemicals, Inc.

  公开号：US05869427A1

  公开（公告）日：1999-02-09

  A novel substituted thiophene derivatives represented by the formula (1) in the invention: ##STR1## wherein R is a straight or branched alkyl group having 3-12 carbon atoms, straight or branched halogenoalkyl group having 3-12 carbon atoms, straight or branched alkenyl group having 3-10 carbon atoms, straight or branched halogenoalkenyl group having 3-10 carbon atoms, or cycloalkyl group having 3-10 carbon atoms, the cycloalkyl group being unsubstituted or substituted with an alkyl group having 1-4 carbon atoms, R and --NHCOAr are adjacent to each other, and Ar is a heterocyclic group; have excellent control activity on various plant disease such as Gray mold, Powdery mildew, Blast and Rust, and are useful as a plant disease control agent due to outstanding residual effect on Botrytis cinerea and excellent effect on Gibberella zeae.

  本发明提供一种用公式（1）表示的新型替代噻吩衍生物：##STR1##其中R是直链或支链烷基，具有3-12个碳原子，直链或支链卤代烷基，具有3-12个碳原子，直链或支链烯基，具有3-10个碳原子，直链或支链卤代烯基，具有3-10个碳原子，或有3-10个碳原子的环烷基，该环烷基未取代或被取代为具有1-4个碳原子的烷基，R和--NHCOAr相邻，Ar是杂环基；这些衍生物对各种植物病害如灰霉病、白粉病、枯萎病和锈病具有优异的控制活性，并且由于对灰霉菌具有杰出的残留效果和对赤霉病菌具有优异的效果，因此可用作植物病害防治剂。
• Substituted thiopene derivative and plant disease control agent comprising the same as active ingredient
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0841336A1

  公开（公告）日：1998-05-13

  A novel substituted thiophene derivatives represented by the formula (1) in the invention: wherein R is a straight or branched alkyl group having 3-12 carbon atoms, straight or branched halogenoalkyl group having 3-12 carbon atoms, straight or branched alkenyl group having 3-10 carbon atoms, straight or branched halogenoalkenyl group having 3-10 carbon atoms, or cycloalkyl group having 3-10 carbon atoms, the cycloalkyl group being unsubstituted or substituted with an alkyl group having 1-4 carbon atoms, R and -NHCOAr are adjacent to each other, and Ar is a heterocyclic group; have excellent control activity on various plant disease such as Gray mold, Powdery mildew, Blast and Rust, and are useful as a plant disease control agent due to outstanding residual effect on Botrytis cinerea and excellent effect on Gibberella zeae.

  一种由本发明中式(1)代表的新型取代噻吩衍生物： 其中 R 是具有 3-12 个碳原子的直链或支链烷基、具有 3-12 个碳原子的直链或支链卤代烷基、具有 3-10 个碳原子的直链或支链烯基、具有 3-10 个碳原子的直链或支链卤代烯基或具有 3-10 个碳原子的环烷基，环烷基未被取代或被具有 1-4 个碳原子的烷基取代，R 和 -NHCOAr 相邻，Ar 是杂环基团； 对灰霉病、白粉病、疫病和锈病等多种植物病害具有优异的防治活性，由于对灰霉病菌（Botrytis cinerea）具有突出的残留效果，对赤霉病菌（Gibberella zeae）具有优异的效果，因此可用作植物病害防治剂。
• Substituted thiophene derivative and agricultural and horticultural fungicide containing the same as active ingredient
  申请人：MITSUI CHEMICALS, INC.

  公开号：EP0737682B1

  公开（公告）日：2002-01-09
• US5747518A
  申请人：——

  公开号：US5747518A

  公开（公告）日：1998-05-05
• US5869427A
  申请人：——

  公开号：US5869427A

  公开（公告）日：1999-02-09