CAS: 91-44-1; 7-(Diethylamino)-4-Methyl-2H-Chromen-2-One

• 英文名称7-(Diethylamino)-4-Methyl-2H-Chromen-2-One
• 中文名称7-二乙氨基-4-甲基香豆素
• IUPAC名称7-(diethylamino)-4-methyl-2H-chromen-2-one
• 其它别名7二乙氨基4甲基香豆素
• CAS编号91-44-1
• MFCD编号:MFCD00006864
• EINECS号:202-068-9
• 分子式:C14H17NO2
• 分子量:231.29
• 产品CID: 1950732
• 产品分类有机原料→分子砌块→芳杂环类化合物→香豆素类化合物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: AFYCEAFSNDLKSX-UHFFFAOYSA-N
• AFYCEAFSNDLKSX-UHFFFAOYSA-N…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数3.0

物理性质

• 熔点72-75 °C
• 沸点240 °C at 6.5 mmHg
• 闪点152.0±17.4 °C
• 密度1.1±0.1 g/cm3
• pKa:3.51±0.20(预测)
• PSA:33.45
• LogP:2.94762
• 折射率1.574
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 敏感性Stable. Incompatible with strong oxidizing agents.
• 外观形态浅米色至浅紫色结晶粉末
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用作激光染色剂.
• 性质描述熔点72-75°C,密度1.122,闪点152°C

MSDS等安全信息

• GHS符号GHS07
• 危险类别水生慢性毒性 类别3
  急性毒性 类别4(经口)
  严重眼刺激 类别2
  水生慢性毒性 类别2
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
• 警示词Warning
• 危险描述H412 |对水生生物有害并具有长期持续影响.
  H302 |吞咽有害.
  H319 |造成严重眼刺激.
  H411 |对水生生物有毒并具有长期持续影响.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
• 防范说明P264-P270-P280-P302+P352-P330-P362+P364-P501
• UN编号NONH for all modes of transport
• 危险品标志Xn
• 安全声明37/39-26
• 危险类别码36/37/38-20/21
• WGK Germany2

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 7-Diethylamino-4-Methylcoumarin 主要起始原料 Ethyl Acetoacetate And 3-Diethylaminophenol
• 141-97-9 + 91-68-9 = 91-44-1
  反应条件:1.1 Catalysts: Acetic Anhydride,Zinc,Titanium Tetrachloride; Rt -> 60 °C; 2 H,75 - 80 °C; 80 °C -> Reflux; 4 H,110 °C; 110 °C -> 50 °C
  标题:Improvement Of The Catalyst In Reaction On The Synthesis Of 7-Diethylamino-4-Methylcoumarin
  作者:Huang,Sheng
  参考文献:Shanghai Huagong 日期:2009 卷标:34(6) 页码:16-18]
  
  132220-02-1 = 91-44-1
  反应条件:1.1 < 15 Min
  标题:Thiocarbonyl Photosensitizer,Feasible Way To Eliminate Photosensitizer Residues In Photodynamic Therapy
  作者:Chen,Tian-Ge; Et Al
  参考文献:Spectrochimica Acta 日期:2022 卷标:270]
  
  141-97-9 + 91-68-9 = 91-44-1
  反应条件:1.1 Reagents: Zinc Chloride Solvents: Ethanol; 6 H,60 °C
  标题:Colorimetric And Fluorescent Probe Based On Coumarin For Sequential Sensing Of Mercury (Ii) And Cyanide Ions In Aqueous Solutions
  作者:Isaad,Jalal; Et Al
  参考文献:Journal Of Luminescence 日期:2022 卷标:243]
  
  132220-02-1 = 91-44-1
  反应条件:1.1 Reagents: M-Chloroperbenzoic Acid Solvents: Acetonitrile; Overnight,Rt
  标题:Selective Detection Of Peroxycarboxylic Acid By Thiocarbonyl Compounds In Aqueous Solution
  作者:Chen,Tian-Ge; Et Al
  参考文献:Sensors And Actuators 日期:2021 卷标:343]
  
  = 91-44-1 [标题:Reaction Conditions
  标题:Effect Of Ph On Fluorescence Spectra Of Coumarin Derivatives
  作者:Huda,Zain Ul; Et Al
  参考文献:Journal Of Fluorescence 日期:2022 卷标:32(1) 页码:57-66]
  
  = 91-44-1 [标题:Reaction Conditions
  标题:Control Of An Unusual Photo-Claisen Rearrangement In Coumarin Caged Tamoxifen Through An Extended Spacer
  作者:Wong,Pamela T.; Et Al
  参考文献:Acs Chemical Biology 日期:2017 卷标:12(4) 页码:1001-1010]
  
  607-71-6 = 91-44-1
  反应条件:1.1 Reagents: Lawesson'S Reagent2.1 Reagents: M-Chloroperbenzoic Acid Solvents: Acetonitrile; Overnight,Rt
  标题:Selective Detection Of Peroxycarboxylic Acid By Thiocarbonyl Compounds In Aqueous Solution
  作者:Chen,Tian-Ge; Et Al
  参考文献:Sensors And Actuators 日期:2021 卷标:343]
  
  = 91-44-1
  反应条件:1.1 Catalysts: 2566665-63-0 Solvents: Water; 42 H,37 °C
  标题:Permethylated Nhc-Capped α- And β-Cyclodextrins (Icydme) Regioselective And Enantioselective Gold-Catalysis In Pure Water
  作者:Zhu,Xiaolei; Et Al
  参考文献:Chemistry - A European Journal 日期:2020 卷标:26(68) 页码:15901-15909]
  
  = 91-44-1
  反应条件:1.1 Catalysts: Chloro(1,3,5-Triaza-7-Phosphatricyclo[3.3.1.13,7]Decane-Kp7)Gold Solvents: Acetonitrile,Water; Overnight,37 °C
  标题:Towards Platinum(Ii) Complexes For In Cellulo Applications: Synthesis,Characterization,Biological And Catalytic Evaluation
  作者:Gourdon-Gruenewaldt,Lisa; Et Al
  参考文献:Helvetica Chimica Acta 日期:2023 卷标:106(8)]
  
  16919-18-9 = 91-44-1 + 16919-18-9
  反应条件:1.1 Solvents: Acetonitrile
  标题:Preparation,Photochemistry,And Electronic Structures Of Coumarin Laser Dye Complexes Of Cyclopentadienylruthenium(Ii)
  作者:Koefod,Robert S.; Et Al
  参考文献:Inorganic Chemistry 日期:1989 卷标:28(12) 页码:2285-90]
  
  91-68-9 + 590-93-2 = 91-44-1
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane; Overnight,0 °C -> Rt2.1 Catalysts: Silver Hexafluoroantimonate,2971750-61-3 Solvents: Acetonitrile,Water; 18 H,37 °C
  标题:Towards Platinum(Ii) Complexes For In Cellulo Applications: Synthesis,Characterization,Biological And Catalytic Evaluation
  作者:Gourdon-Gruenewaldt,Lisa; Et Al
  参考文献:Helvetica Chimica Acta 日期:2023 卷标:106(8)

海关参考信息

• 2901100000-饱和无环烃
• 💡 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

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管