CAS: 89392-03-0; Phenyl (4,6-Dimethoxypyrimidin-2-yl)Carbamate

• 英文名称Phenyl (4,6-Dimethoxypyrimidin-2-yl)Carbamate
• 中文名称2-((苯氧基羰基)胺基)-4,6-二甲氧基嘧啶
• IUPAC名称phenyl (4,6-dimethoxypyrimidin-2-yl)carbamate
• 其它别名4,6-二甲氧基-2-[(苯氧基羰基)氨基]嘧啶; Phenyl-4,6-Dimethoxy-2-Pyrimidylamino Formate
• CAS编号89392-03-0
• MFCD编号:MFCD02947731
• EINECS号:618-270-9
• 分子式:C13H13N3O4
• 分子量:275.26
• 产品CID: 1915806
• 产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物

• 相似结构搜索
• InChIKey: MESPVSMSORHLAX-UHFFFAOYSA-N
• InChI=1S/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)…
• 计算化学: 氢键受体数6.0氢键供体数1.0可旋转键数4.0

相似化合物

物理性质

• 熔点118.0-122.0 °C
• 沸点250 °C at 760 mmHg
• 密度1.3±0.1 g/cm3
• pKa:9.49±0.70(预测)
• PSA:82.57
• LogP:2.1047
• 折射率1.602
• 蒸汽压0.02Pa at 20°C
• 溶解性61Mg/l At 20°c
• 外观形态白色至橙色至绿色粉末至晶体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于生产硫化铀除草剂的中间体.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS09;
  注释: Exclamation mark & Environment
• 危险类别皮肤致敏 类别1
  水生慢性毒性 类别2
• 警示词Warning(警告)
• 危险描述H317 |可能引起皮肤过敏反应.
  H411 |对水生生物有毒并具有长期持续影响.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级9
• UN编号UN 3077 9/PG III
• 危险品标志Xi,N
• 包装等级III
• 安全声明24-37-61
• 危险类别码43-51/53

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 4,6-Dimethoxy-2-(Phenoxycarbonyl)Aminopyrimidine 主要起始原料 2-Amino-4,6-Dimethoxypyrimidine And Phenyl Chloroformate
• 5270-94-0 = 89392-03-0
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Tetrahydrofuran; 18 H,Rt
  标题:Discovery Of Ortho-Alkoxy Substituted Novel Sulfonylurea Compounds That Display Strong Herbicidal Activity Against Monocotyledon Grasses
  作者:Wang,Hai-Lian; Li,Hao-Ran; Zhang,Yi-Chi; Yang,Wen-Tao; Yao,Zheng; Et Al
  参考文献:Journal Of Agricultural And Food Chemistry 日期:2021 卷标:69(30) 页码:8415-8427]
  
  36315-01-2 = 89392-03-0 + 554-68-7
  反应条件:1.1 Solvents: Acetonitrile; 6 H,Rt -> 60 °C
  标题:Evaluation Of Synthesis Of Methyl 3-Chloro-5-(4,6-Dimethoxypyrimidin-2-Ylcarbamoylsulfamoyl)-1-Methylpyrazole-4-Carboxylate Using Green Metrics
  作者:Gilbile,Rohidas; Bhavani,Ram; Vyas,Ritu
  参考文献:Asian Journal Of Chemistry 日期:2017 卷标:29(7) 页码:1477-1481]
  
  36315-01-2 = 89392-03-0
  反应条件:1.1 Reagents: N,N-Dimethylaniline Solvents: 1,4-Dioxane
  标题:Design,Synthesis And Biological Evaluation Of 5-Substituted Sulfonylureas As Antifungal Agents Targeting Acetohydroxyacid Synthase
  作者:Meng,Fanfei; Mi,Pengcheng; Yu,Zhenwu; Wei,Wei; Gao,Li; Et Al
  参考文献:Journal Of Molecular Structure 日期:2022 卷标:1260]
  
  36315-01-2 = 89392-03-0
  反应条件:1.1 Solvents: Tetrahydrofuran; Rt; 18 H,Rt1.2 Reagents: Water; 30 Min
  标题:Synthesis Of Foramsulfuron
  作者:Liu,Qun; Sun,Ke; Lin,Chang-Fu; Cao,Wei; Li,Yan-Juan
  参考文献:Xiandai Nongyao 日期:2012 卷标:11(4) 页码:19-22]
  
  36315-01-2 = 89392-03-0
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Tetrahydrofuran; 18 H,Rt
  标题:Chemical Synthesis,Biological Activities,And Molecular Simulations Of Novel Sulfonylurea Compounds Bearing Ortho-Alkoxy Substitutions
  作者:Shang,Ming-Hao; Zhang,Kai; Zhang,Jia-Shuang; Niu,Cong-Wei; Li,Yong-Hong; Et Al
  参考文献:Chemical Biology & Drug Design 日期:2022 卷标:100(4) 页码:487-501]
  
  36315-01-2 = 89392-03-0
  反应条件:1.1 Reagents: Potassium Carbonate,Potassium Iodide Solvents: Tetrahydrofuran; Overnight,0 °C
  标题:Synthesis,Herbicidal Activity,Crop Safety And Soil Degradation Of Pyrimidine- And Triazine-Substituted Chlorsulfuron Derivatives
  作者:Wu,Lei; Gu,Yu-Cheng; Li,Yong-Hong; Zhou,Sha; Wang,Zhong-Wen; Et Al
  参考文献:Molecules 日期:2022 卷标:27(7)

海关参考信息

• 2905110000-甲醇
  2912110000-甲醛
  2915110000-甲酸
  2908199090-其他酚的卤化衍生物
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

专利信息

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