CAS: 90905-46-7; 4,6-Dimethoxy-2-(Methylthio)Pyrimidine

• 英文名称4,6-Dimethoxy-2-(Methylthio)Pyrimidine
• 中文名称4,6-二甲氧基-2-(甲硫基)嘧啶
• IUPAC名称4,6-dimethoxy-2-(methylthio)pyrimidine
• 其它别名2-甲硫基-4,6-二甲氧基嘧啶; 2-Methylthio-4,6-Dimethoxypyrimidine; 4,6-Dimethoxy-2-Methylsulfanylpyrimidine; 4,6-Dimethoxy-2-Methylthiopyrimidine
• CAS编号90905-46-7
• MFCD编号:MFCD00792663
• 分子式:C7H10N2O2S
• 分子量:186.23
• 产品CID: 1942960
• 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: URSYQIBBJXLQBW-UHFFFAOYSA-N
• InChI=1S/C7H10N2O2S/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3…
• 计算化学: 氢键受体数5.0氢键供体数0.0可旋转键数3.0

相似化合物

物理性质

• 熔点56-60°C
• 沸点312.7±22.0 °C at 760 mmHg
• 闪点142.9±22.3 °C
• 密度1.2±0.1 g/cm3
• pKa:0.82±0.30(预测)
• PSA:44.24
• LogP:1.2157
• 折射率1.545
• 蒸汽压0.0±0.6 mmHg at 25°C
• 外观形态白色或淡黄色粉末
• 储存条件存储温度 2-8°C
• 性质描述白色或类白色固体或结晶.

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H320-H335
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• 危险品标志Xi
• 安全声明26-36
• 危险类别码36/37/38
• WGK Germany3

上下游产品

合成工艺路线路线简述

• 5188-07-8 + 13223-25-1 = 90905-46-7
  反应条件:1.1 Catalysts: Tetrabutylammonium Bromide Solvents: Methanol; Rt -> 45 °C; 2 H,45 - 50 °C
  标题:A Facile Synthesis Of 4,6-Dimethoxy-2-Methylsulfonylpyrimidine
  作者:Xu,Defeng; Zhu,Zhiling; Xu,Hui; Wang,Ziqiao
  参考文献:Asian Journal Of Chemistry 日期:2014 卷标:26(1) 页码:313-314]
  
  6299-25-8 = 90905-46-7
  反应条件:1.1 Solvents: Methanol; Cooled; 4 H,Reflux1.2 Reagents: Water
  标题:Microsynthesis Of A Novel Herbicide,Propyl 4-[2-[(4,6-Dimethoxy-2- Pyrimidinyl)Oxy] Benzylamino]Benzoate
  作者:Yang,Zhengmin; Ye,Qingfu; Tang,Qinghong; Lu,Long
  参考文献:Henong Xuebao 日期:2006 卷标:20(5) 页码:423-428]
  
  1979-98-2 = 90905-46-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride; 3 - 4 H,80 - 100 °C1.2 Solvents: Methanol; 7 - 9 H,Reflux
  标题:Preparation Of 4,6-Dimethoxy-2-Methylthiopyrimidine
  参考文献:China]
  
  57235-35-5 = 90905-46-7
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrabutylammonium Bromide Solvents: Dimethyl Carbonate; 6 H,90 °C
  标题:Sh-Methylation Of Sh-Containing Heterocycles With Dimethyl Carbonate Via Phase-Transfer Catalytic Reaction
  作者:Xie,Jian-Gang; Quan,Jing; Li,Shu-Bai; Zheng,Yan; Zhu,Li-Min
  参考文献:Synthetic Communications 日期:2011 卷标:41(6) 页码:871-878]
  
  504-17-6 = 90905-46-7
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone
  标题:Synthesis And Anti-Inflammatory Activity Of 2-(2-Aroylaroxy)-4,6-Dimethoxy Pyrimidines
  作者:Venu,T. D.; Khanum,S. A.; Firdouse,Aiysha; Manuprasad,B. K.; Shashikanth,Sheena; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2008 卷标:18(15) 页码:4409-4412]
  
  6299-25-8 = 90905-46-7
  反应条件:1.1 Solvents: Methanol; 2 H,Rt -> 65 °C
  标题:Synthesis Of 2-Cyanopyrimidines
  作者:Kalogirou,Andreas S.; Koutentis,Panayiotis A.
  参考文献:Molbank 日期:2019 卷标:(4)]
  
  6299-25-8 = 90905-46-7
  反应条件:1.1 Solvents: Methanol; 10 - 20 Min,60 °C
  标题:Mild And Catalyst-Free Microwave-Assisted Synthesis Of 4,6-Disubstituted 2-Methylthiopyrimidines - Exploiting Tetrazole As An Efficient Leaving Group
  作者:Thomann,Andreas; Eberhard,Jens; Allegretta,Giuseppe; Empting,Martin; Hartmann,Rolf W.
  参考文献:Synlett 日期:2015 卷标:26(18) 页码:2606-2610]
  
  6299-25-8 = 90905-46-7
  反应条件:1.1 16 H,Rt; Rt -> Reflux; 4 H,Cooled
  标题:Synthesis And Application Research Of 4,6-Dimethoxy-2-(Methylsulfonyl)Pyrimidine
  作者:Fan,Qianjun; Shen,Delong; Chen,Jianqiang
  参考文献:Jingxi Huagong Zhongjianti 日期:2005 卷标:35(2) 页码:39-41]
  
  6299-25-8 = 90905-46-7
  反应条件:1.1 Solvents: Methanol
  标题:Studies On The Preparation Of Super Highly Efficient Herbicide Of Bispyribac-Sodium
  作者:Xu,Zhenyuan; Jin,Shengchao; Li,Jun; Xu,Danqian
  参考文献:Nongyao 日期:2002 卷标:41(6) 页码:15-18]
  
  6299-25-8 = 90905-46-7
  反应条件:1.1 Solvents: Methanol; Reflux
  标题:Synthesis Of 4,6-Dimethoxy-2-Methylsulfonylpyrimidine
  作者:Fang,Yong-Qin; Guo,Li-Ting
  参考文献:Huaxue Shijie 日期:2011 卷标:52(8) 页码:500-503]
  
  504-17-6 = 90905-46-7
  反应条件:1.1 Solvents: Methanol; 30 Min,4 °C
  标题:A Facile Synthesis Of [14C]Pyrithiobac-Sodium
  作者:Ravi,S.; Mathew,K. M.; Padmanabhan,D.; Unny,V. K. P.; Sivaprasad,N.
  参考文献:Journal Of Labelled Compounds And Radiopharmaceuticals 日期:2006 卷标:49(4) 页码:339-343]
  
  31645-12-2 = 90905-46-7
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; Rt; 2 H,Rt
  标题:Synthesis Of 4,6-Dimethoxy-2-(Methylsulfonyl)Pyrimidine
  作者:Deng,Jiyong; Lin,Yuanbin
  参考文献:Jingxi Huagong Zhongjianti 日期:2005 卷标:35(3) 页码:9-10]
  
  504-17-6 = 90905-46-7
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Tetrabutylammonium Bromide Solvents: Water; 1 H,50 °C
  标题:The Simple Synthesis Of 4,6-Dimethoxy-2-Methylsulfonylpyrimidine
  作者:Guo,Feng; Ji,Min; Hua,Weiyi
  参考文献:Huaxue Tongbao 日期:2005 卷标:68(11) 页码:876-877

海关参考信息

• 2905110000-甲醇
  2909199090-其他醚及其衍生物
  2930909099-其他有机硫化合物
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