2-(4-chlorophenoxy-methyl)-2-benzylsulfonylamino-propionitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-chlorophenoxy-methyl)-2-benzylsulfonylamino-propionitrile
• 英文别名: N-[1-(4-chlorophenoxy)-2-cyanopropan-2-yl]-1-phenylmethanesulfonamide
• 化学式: C₁₇H₁₇ClN₂O₃S
• 分子量: 364.853
• InChiKey: TZSNMQHGYYXFOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  87.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-methyl-1-benzylsulfonyl-aziridine-2-carbonitrile 、 caesium carbonate 以 二氯甲烷 为溶剂， 反应 5.0h， 以49.3%的产率得到2-(4-chlorophenoxy-methyl)-2-benzylsulfonylamino-propionitrile
  参考文献：
  名称：

  [EN] ALPHA-SULFONYLAMINO-ACETONITRILES
  [FR] ACETONITRILES ALPHA-SULFONYLAMINES

  摘要：

  本发明涉及一般式（I）的α-磺酰氨基乙腈衍生物，包括其光学异构体和这些异构体的混合物，其中Ar1和Ar2独立地代表可选的取代芳基或杂环芳基基团，R1和R2独立地代表氢，可选的取代C1-C5烷基，可选的取代C2-C5烯基，C2-C5炔基或可选的取代C3-C6环烷基；R3代表氢，C3-C5烯基，C3-C5炔基或可选的取代C1-C5烷基；R4是可选的取代C1-C5烷基，可选的取代C2-C5烯基，C2-C5炔基或可选的取代C3-C6环烷基；R5和R6独立地代表氢或可选的取代C1-C5烷基，可选的取代C2-C5烯基，C2-C5炔基或可选的取代C3-C6环烷基；R7和R8独立地代表氢或可选的取代C1-C5烷基，可选的取代C2-C5烯基，C2-C5炔基或可选的取代C3-C6环烷基；W代表从-0-，-S（O）m-或-NR3-中选择的桥；X代表直接键或从-0-，-S（O）m-或-NR3-中选择的桥；a和b独立地代表数字1、2或3；c和m独立地代表数字零、1或2。这些化合物具有有用的植物保护性能，并可以优势地用于农业实践中，用于控制或预防植物被植物病原微生物，特别是真菌的侵害。

  公开号：

  WO2004000797A1

文献信息

• Alpha-sulfonylamino-acetonitriles
  申请人：Eberle Martin

  公开号：US20050234125A1

  公开（公告）日：2005-10-20

  The invention relates to α-sulfonylamino-acetonitrile derivatives of the general formula (I) including the optical isomers thereof and mixtures of such isomers, wherein Ar 1 , and Ar 2 independently of each other stand for an optionally substituted aryl or heteroaryl group, R 1 , and R 2 stand independently of each other for hydrogen, optionally substituted C 1 ,-C 5 alkyl, optionally substituted C 2 -C 5 alkenyl, C 2 -C 5 alkynyl or optionally substituted C 3 -C 6 cycloalkyl; R 3 designates hydrogen, C 3 -C 5 alkenyl, C 3 -C 5 alkynyl or optionally substituted C 1 ,-C 5 alkyl; R 4 is optionally substituted C 1 ,-C 5 alkyl, optionally substituted C 2 -C 5 alkenyl, C 2 -C 5 alkynyl or optionally substituted C 3 -C 6 cycloalkyl; R 5 and R 6 are independently of each other hydrogen or optionally substituted C 1 -C 5 alkyl, optionally substituted C 2 -C 5 alkenyl, C 2 -C 5 alkynyl or optionally substituted C 3 -C 6 cycloalkyl; R 7 , and R 8 are independently of each other hydrogen or optionally substituted C 1 ,-C 5 alkyl, optionally substituted C 2 -C 5 alkenyl, C 2 -C 5 alkynyl or optionally substituted C 3 -C 6 cycloalkyl; W designates a bridge selected from —O— —S(O)m- or —NR 3 —; X designates a direct bond or a bridge selected from —O—, —S(O)m- or —NR 3 —; a and b independently of each other stand for a number 1, 2 or 3; and c and m independently of each other stand for a number zero, 1 or 2. These compounds possess useful plant protecting properties and may advantageously be employed in agricultural practice for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi.

  本发明涉及一般式（I）的α-磺酰基氨基乙腈衍生物，包括其光学异构体和混合物，其中Ar1和Ar2分别代表可选取代的芳基或杂环芳基基团，R1和R2分别独立地代表氢、可选取代的C1-C5烷基、可选取代的C2-C5烯基、C2-C5炔基或可选取代的C3-C6环烷基；R3代表氢、C3-C5烯基、C3-C5炔基或可选取代的C1-C5烷基；R4是可选取代的C1-C5烷基、可选取代的C2-C5烯基、C2-C5炔基或可选取代的C3-C6环烷基；R5和R6独立地代表氢或可选取代的C1-C5烷基、可选取代的C2-C5烯基、C2-C5炔基或可选取代的C3-C6环烷基；R7和R8独立地代表氢或可选取代的C1-C5烷基、可选取代的C2-C5烯基、C2-C5炔基或可选取代的C3-C6环烷基；W代表从-O-，-S（O）m-或-NR3-中选择的桥；X代表直接键或从-O-，-S（O）m-或-NR3-中选择的桥；a和b独立地代表数字1、2或3；c和m独立地代表数字0、1或2。这些化合物具有有用的植物保护性能，可以在农业实践中优势地用于控制或预防植物受植物病原微生物，特别是真菌的侵袭。
• ALPHA-SULFONYLAMINO-ACETONITRILES
  申请人：Syngenta Participations AG

  公开号：EP1513802A1

  公开（公告）日：2005-03-16
• US7368479B2
  申请人：——

  公开号：US7368479B2

  公开（公告）日：2008-05-06
• [EN] ALPHA-SULFONYLAMINO-ACETONITRILES<br/>[FR] ACETONITRILES ALPHA-SULFONYLAMINES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2004000797A1

  公开（公告）日：2003-12-31

  The invention relates to α-sulfonylamino-acetonitrile derivatives of the general formula (I) including the optical isomers thereof and mixtures of such isomers, wherein Ar1, and Ar2 independently of each other stand for an optionally substituted aryl or heteroaryl group, R1, and R2 stand independently of each other for hydrogen, optionally substituted C1,-C5alkyl, optionally substituted C2-C5alkenyl, C2-C5alkynyl or optionally substituted C3-C6cycloalkyl; R3 designates hydrogen, C3-C5alkenyl, C3-C5alkynyl or optionally substituted C1,-C5alkyl; R4 is optionally substituted C1,-C5alkyl, optionally substituted C2-C5alkenyl, C2-C5alkynyl or optionally substituted C3-C6cycloalkyl; R5 and R6 are independently of each other hydrogen or optionally substituted C1-C5alkyl, optionally substituted C2-C5alkenyl, C2-C5alkynyl or optionally substituted C3-C6cycloalkyl; R7, and R8 are independently of each other hydrogen or optionally substituted C1,-C5alkyl, optionally substituted C2-C5alkenyl, C2-C5alkynyl or optionally substituted C3-C6cycloalkyl; W designates a bridge selected from -0- -S(O)m- or -NR3- ; X designates a direct bond or a bridge selected from -0-, -S(O)m- or -NR3- ; a and b independently of each other stand for a number 1, 2 or 3; and c and m independently of each other stand for a number zero, 1 or 2. These compounds possess useful plant protecting properties and may advantageously be employed in agricultural practice for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi.

  本发明涉及一般式（I）的α-磺酰氨基乙腈衍生物，包括其光学异构体和这些异构体的混合物，其中Ar1和Ar2独立地代表可选的取代芳基或杂环芳基基团，R1和R2独立地代表氢，可选的取代C1-C5烷基，可选的取代C2-C5烯基，C2-C5炔基或可选的取代C3-C6环烷基；R3代表氢，C3-C5烯基，C3-C5炔基或可选的取代C1-C5烷基；R4是可选的取代C1-C5烷基，可选的取代C2-C5烯基，C2-C5炔基或可选的取代C3-C6环烷基；R5和R6独立地代表氢或可选的取代C1-C5烷基，可选的取代C2-C5烯基，C2-C5炔基或可选的取代C3-C6环烷基；R7和R8独立地代表氢或可选的取代C1-C5烷基，可选的取代C2-C5烯基，C2-C5炔基或可选的取代C3-C6环烷基；W代表从-0-，-S（O）m-或-NR3-中选择的桥；X代表直接键或从-0-，-S（O）m-或-NR3-中选择的桥；a和b独立地代表数字1、2或3；c和m独立地代表数字零、1或2。这些化合物具有有用的植物保护性能，并可以优势地用于农业实践中，用于控制或预防植物被植物病原微生物，特别是真菌的侵害。