1-(2-氟苯基)-3-甲基脲 | 13140-07-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2-氟苯基)-3-甲基脲
• 英文名称: N-(2-fluorophenyl)-N'-methyl urea
• 英文别名: 1-(2'-fluorophenyl)-3-methylurea；N-methyl-N'-o-fluorophenyl urea；N-methyl-N'-2-fluorophenyl urea；N-(2-fluorophenyl)-N'-methylurea；1-(2-fluorophenyl)-3-methylurea
• CAS: 13140-07-3
• 化学式: C₈H₉FN₂O
• mdl: MFCD02169783
• 分子量: 168.171
• InChiKey: KCHHKGGVOQEHPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-氟苯基)-3-甲基脲 生成 N-cyclopropyl-2,2,2-trifluoro-N-[(2-fluorophenyl)carbamoyl]acetamide
  参考文献：
  名称：

  TANABEH, AKIRA;SATO, JOSI;JOSIDA, AKIRA

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氟苯胺 、 异氰酸甲酯 以 甲苯 为溶剂， 以68%的产率得到1-(2-氟苯基)-3-甲基脲
  参考文献：
  名称：

  Assignment of isomeric hydroxyhydantoins: Linked-scan, tandem and high-resolution studies

  摘要：

  AbstractThe mass spectral fragmentation of hydroxyhydantoins was studied by a combination of high‐resolution, linked‐scan and collisionally activated decomposition (CAD) experiments. This endeavor resulted in the structural assignment of four pairs of synthetic hydroxyhydantoin isomers. A key feature in differentiating l‐methyl‐3‐ aryl‐5‐hydroxy‐2,4‐imidazolidinediones from 1‐aryl‐3‐methyl‐5‐hydroxy‐2,4‐imidazolidinediones is that under electron ionizarion (EI) conditions only the 1‐methyl‐3‐aryl‐5‐hydroxy‐2,4‐imidazolidinediones yield the [MeNHCHO]+˙ ion. The analogous [ArNHCHO]+˙ ion (where Ar is the aryl group) was present in the EI spectra of both isomers and its origins are explained by the linked‐scan and CAD experiments performed.

  DOI：

  10.1002/oms.1210260302

文献信息

• IDO INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160289171A1

  公开（公告）日：2016-10-06

  There are disclosed compounds that modulate or inhibit the enzymatic activity of indoleamine 2,3-dioxygenase (IDO), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders, such as cancer, viral infections and/or inflammatory disorders utilizing the compounds of the invention.

  已披露的化合物可调节或抑制吲哌酮胺2,3-二氧化酶（IDO）的酶活性，含有该化合物的药物组合物以及利用本发明的化合物治疗增殖性疾病，如癌症、病毒感染和/或炎症性疾病的方法。
• Herbicidal substituted-haloethyl urea
  申请人：Chevron Research Company

  公开号：US04007033A1

  公开（公告）日：1977-02-08

  Herbicidal compounds of the formula ##STR1## wherein R is alkyl, cycloalkyl or phenyl substituted with up to 2 fluorine, chlorine, bromine, trifluoromethyl, nitro, lower alkoxy, lower alkyl or phenoxy, phenylthio or phenylsulfonyl substituted with up to 2 fluorine or chlorine atoms; R.sup.1 is hydrogen or alkyl; R.sup.2 is alkyl; Z is halogen; Y is hydrogen or Z; and X is alkoxy, carbalkoxyalkoxy, alkylthio, carbalkoxyalkylthio or phenylthio substituted with up to 2 fluorine, chlorine, bromine or lower alkyl groups.

  草甘膦类化合物的化学式为##STR1##其中R为烷基、环烷基或苯基，可被取代为最多2个氟、氯、溴、三氟甲基、硝基、较低的烷氧基、较低的烷基或苯氧基，苯硫基或苯磺酰基，可被取代为最多2个氟或氯原子；R.sup.1为氢或烷基；R.sup.2为烷基；Z为卤素；Y为氢或Z；X为烷氧基、羰基烷氧基、烷基硫基、羰基烷基硫基或苯硫基，可被取代为最多2个氟、氯、溴或较低烷基基团。
• N-alkyl or alkoxy-N'-substituted hydrocarbyl urea
  申请人：Chevron Research Company

  公开号：US04111683A1

  公开（公告）日：1978-09-05

  Compounds of the formula ##STR1## wherein R is aliphatic hydrocarbyl, alicyclic hydrocarbyl or aryl suitably substituted, if desired, or a heterocyclic group, R.sup.1 is hydrogen or alkyl, R.sup.2 is alkyl or alkoxy, R.sup.3 is ##STR2## wherein a is 0 or 1, R.sup.4 is hydrogen or CW'.sub.3, the W' being hydrogen or halogen, Z is halogen and X is halogen, hydroxy, alkoxy, acetoxy, carbethoxyalkoxy, phenoxy, alkylthio, carbethoxyalkylthio, phenylthio, phosphono, dithiophosphonoxy, phosphoramido, isocyanato, isothiocyanato, alkyl- and dialkylthiocarbamoylthio, alkyl- and dialkylcarbamoyloxy, alkylsulfonyl, etc., have herbicidal activity.

  该公式的化合物为##STR1##其中R是脂肪烃基、脂环烃基或苯基，如有需要，可适当取代，或者是杂环基团，R.sup.1是氢或烷基，R.sup.2是烷基或烷氧基，R.sup.3是##STR2##其中a为0或1，R.sup.4是氢或CW'.sub.3，其中W'为氢或卤素，Z为卤素，X为卤素、羟基、烷氧基、乙酰氧基、羰乙氧基、苯氧基、烷基硫基、羰乙硫基、苯硫基、磷酸酯、二硫代磷酸酯氧基、磷酰胺、异氰酸酯、异硫氰酸酯、烷基和二烷基硫代氨基硫基、烷基和二烷基氨基氧基、烷基磺酰基等，具有除草活性。
• Herbicidal N-alkylsulfoxymethyl-and-N-alkylsulfonyl-methyl-N-aryl
  申请人：Chevron Research Company

  公开号：US03978123A1

  公开（公告）日：1976-08-31

  Compounds of the formula ##EQU1## wherein R is alkyl of 1 to 6 carbon atoms or aryl of 6 to 12 carbon atoms substituted with 0 to 5 halogen atoms of atomic number 9 to 35, nitro groups, alkyl groups of 1 to 4 carbon atoms or alkoxy groups of 1 to 4 carbon atoms; one of R.sup.1 or R.sup.2 is alkyl of 1 to 6 carbon atoms or cycloalkyl of 5 to 6 carbon atoms and the other is aryl of 6 to 12 carbon atoms substituted with 0 to 5 halogen atoms of atomic number 9 to 35, nitro groups, alkyl groups of 1 to 4 carbon atoms or alkyoxy groups of 1 to 4 carbon atoms or trifluoromethyl; R.sup.3 is hydrogen or alkyl of 1 to 4 carbon atoms and X is sulfur, SO, SO.sub.2 or oxygen, with the proviso that when X is oxygen, R.sup.1 is aryl or substituted aryl. The ureas find use as herbicides in both pre- and post-emergent applications.

  式为##EQU1##的化合物，其中R是1至6个碳原子的烷基或6至12个碳原子的芳基，取代为0至5个原子序数为9至35的卤素原子、硝基基团、1至4个碳原子的烷基基团或1至4个碳原子的烷氧基团；R.sup.1或R.sup.2中的一个是1至6个碳原子的烷基或5至6个碳原子的环烷基，另一个是6至12个碳原子的芳基，取代为0至5个原子序数为9至35的卤素原子、硝基基团、1至4个碳原子的烷基基团或1至4个碳原子的烷氧基团或三氟甲基；R.sup.3是氢或1至4个碳原子的烷基，X是硫、SO、SO.sub.2或氧，但当X是氧时，R.sup.1是芳基或取代芳基。这些脲类化合物在除草剂的前期和后期应用中有用。
• Parabanic acid derivatives
  申请人：BASF Aktiengesellschaft

  公开号：US04283547A1

  公开（公告）日：1981-08-11

  New and valuable parabanic acid derivatives having a herbicidal action, herbicides containing these compounds, processes for controlling the growth of unwanted plants with these compounds, and processes for manufacturing these herbicides.

  具有除草作用的新颖和有价值的对叠氮酸衍生物，含有这些化合物的除草剂，利用这些化合物控制不受欢迎植物生长的过程，以及制造这些除草剂的过程。