4-phenyl-3-thio-allophanic acid methyl ester | 40774-87-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-phenyl-3-thio-allophanic acid methyl ester
• 英文别名: 4-Phenyl-3-thio-allophansaeure-methylester；N-Phenyl-thioharnstoff-N'-carbonsaeuremethylester；ω-Phenyl-thioallophansaeure-methylester；N-Phenyl-N'-carbomethoxy-thioharnstoff；N-Phenyl-thioharnstoff-N'-crbonsaeuremethylester；2-(3-methoxycarbonyl-2-thioureido)-benzene；methyl N-(phenylcarbamothioyl)carbamate
• CAS: 40774-87-6
• 化学式: C₉H₁₀N₂O₂S
• mdl: MFCD24389029
• 分子量: 210.257
• InChiKey: ACUBUDUYSFODKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  82.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-phenyl-3-thio-allophanic acid methyl ester 、 氯乙酰氯 生成 (4-oxo-3-phenyl-thiazolidin-2-ylidene)-carbamic acid methyl ester
  参考文献：
  名称：

  Dixon; Kennedy, Journal of the Chemical Society, 1920, vol. 117, p. 76

  摘要：

  DOI：
• 作为产物：
  描述：

  1-乙酰基-3-苯基硫脲 、 氯甲酸甲酯 生成 4-phenyl-3-thio-allophanic acid methyl ester
  参考文献：
  名称：

  Doran, Journal of the Chemical Society, 1901, vol. 79, p. 910

  摘要：

  DOI：

文献信息

• Fungicidal anilides
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0100615A1

  公开（公告）日：1984-02-15

  Use of an anilide of the formula: as a fungicidal agent against phytophatogenic fungi, particularly those strains resistant to benzimidazole, thiophanate and/or cyclic imide fungicides.

  式中苯胺的用途： 作为一种杀真菌剂，用于防治植生真菌，特别是对苯并咪唑、硫hanate 和/或环亚胺类杀菌剂有抗性的菌株。
• Fungicidal aniline derivatives
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0117024A2

  公开（公告）日：1984-08-29

  A compound of the formula: useful as a fungicidal agent against phytopathogenic fungi, particularly their strains resistant to benzimidazole, thiophanate and/or cyclic imide fungicides.

  一种式化合物： 可用作植物病原真菌的杀菌剂，特别是对苯并咪唑类、硫氨酸类和/或环亚胺类杀菌剂有抗性的真菌菌株。
• Cyclic diones
  申请人：MAY & BAKER LIMITED

  公开号：EP0278742A2

  公开（公告）日：1988-08-17

  A 2-benzoylcyclic-1,3-dione derivative of the formula: wherein X represents methylene, oxygen, sulphur or -NR⁴-, Y represents -C(R⁵) (R⁶)- or oxygen, R¹ represents hydrogen or alkyl optionally substituted by halogen or represents cycloalkyl, R² represents hydrogen or R⁷ or R¹ and R² together represent alkylene, R³ represents halogen, hydroxy, carboxy, nitro, cyano or amino or carbamoyl (which may be substituted by one or two alkyl groups) , alkoxycarbonyl, alkanoyl, or alkanoylamino, R, RO, RS, RSO or RSO₂ in which R represents alkyl optionally substituted by halogen, R⁴ represents hydrogen or alkyl or alkoxycarbonyl, R⁵ represents hydrogen or alkyl or alkoxycarbonyl, R⁶ represents hydrogen or alkyl, R⁷ represents alkyl which may be substituted by halogen or alkylthio or by a group (R⁸)n-phenyl-S-, or represents cycloalkyl or tetrahydrothiapyran-3-yl or represents a group (R⁸)n-phenyl- ­in which R⁸ represents a halogen, hydroxy, carboxy, nitro or cyano, or amino or carbamoyl (which may be substituted by one or two alkyl groups), alkoxycarbonyl or alkanoyl or alkanoylamino or R, RO, RS, RSO or RSO₂ in which R represents alkyl which is optionally substituted by halogen, m is zero or 1 to 5 and n is zero or 1 to 5, provided that when X represents methylene, and Y represents -C(R⁵) (R⁶)- ­then R¹ and R² do not simultaneously represent hydrogen or alkyl and salts thereof are useful as herbicides.

  一种 2-苯甲酰基环-1,3-二酮衍生物，其式如下 其中 X 代表亚甲基、氧、硫或-NR⁴-，Y 代表-C(R⁵) (R⁶)- 或氧，R¹ 代表氢或任选被卤素取代的烷基或代表环烷基，R² 代表氢或 R⁷或 R¹ 和 R² 共同代表亚烷基，R³ 代表卤素、羟基、羧基、硝基、氰基或氨基或氨基甲酰基（可被一个或两个烷基取代）、烷氧基羰基、烷酰基、羧基、硝基、氰基或氨基或氨基甲酰基（可被一个或两个烷基取代）、R、RO、RS、RSO 或 RSO₂，其中 R 代表任选被卤素取代的烷基，R⁴ 代表氢或烷基或烷氧羰基，R⁵ 代表氢或烷基或烷氧羰基，R⁶ 代表氢或烷基、R⁷ 代表可被卤素或烷硫基或基团 (R⁸)n-phenyl-S- 取代的烷基，或代表环烷基或四氢噻喃-3-基，或代表基团 (R⁸)n-phenyl- 其中 R⁸ 代表卤素、羟基、羧基、硝基或氰基，或氨基或氨基甲酰基（可被一个或两个烷基取代）、烷氧基羰基或烷酰基或烷酰氨基或 R、RO、RS、RSO 或 RSO₂，其中 R 代表任选被卤素取代的烷基，m 为零或 1 至 5，n 为零或 1 至 5，条件是当 X 代表亚甲基，Y 代表-C(R⁵) (R⁶)-时，R¹ 和 R² 不同时代表氢或烷基，其盐可用作除草剂。
• On the Formation and Reactions of the Substituted Thiazolidones. IV
  作者：Floyd A. Eberly、F. B. Dains

  DOI：10.1021/ja01303a050

  日期：1936.12
• 5-HALOGEN-6-PHENYL-7-FLUOROALKYLAMINO-TRIAZOLOPYRIMIDINES AS FUNGICIDES
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP1381609A1

  公开（公告）日：2004-01-21