CAS: 86-86-2; 1-Naphthaleneacetamide

• 英文名称1-Naphthaleneacetamide
• 中文名称萘乙酰胺
• IUPAC名称1-Naphthaleneacetamide
• 其它别名Naphthyl acetamide; NAA Amide; Amid-Thin W; Naphthaleneacetamide; 1-Naphthaleneacetamide; 1-Naphthalene acetamide
• CAS编号86-86-2
• MFCD编号:MFCD00004047
• EINECS号:201-704-2
• FDA UNII编号:11KAX3RJ28
• 分子式:C12H11NO
• 分子量:185.22
• 产品CID: 1871974
• 产品分类化学农药原药 → 植物生长调节剂

• 相似结构搜索
• InChIKey: XFNJVKMNNVCYEK-UHFFFAOYSA-N
• InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点180-183  °C(文献)
• 沸点420.6±24.0 °C at 760 mmHg
• 闪点208.2±22.9 °C
• 密度1.2±0.1 g/cm3
• pKa:16.10±0.40(预测)
• PSA:43.09
• LogP:1.68
• 折射率1.648
• 蒸汽压0.0±1.0 mmHg at 25°C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 敏感性常温常压下稳定
• 外观形态白色至类白色
• 储存条件密封, 常温干燥保存
• 产品应用萘乙酰胺是一种良好的疏菜疏果剂;苹果,梨,桃,葡萄及观赏作物的生根剂,通常与其它生根剂混用.
• 性质描述1-萘乙酰胺剂型:8.4%可湿性粉剂.理化性质:纯品为淡黄色结晶固体,40°C在水中的溶解度为39mg/kg,能溶于热水,苯,乙醚,二硫化碳中.熔点184°C,蒸气压小于1×10-2mPa,在正常贮存条件下稳定.毒性:对皮肤刺激很小,对眼睛刺激严重.大鼠急性口服LD50约l690mg/kg,兔急性经皮LD50＞2g/kg.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 危险类别急性毒性 类别4(经口)
  严重眼损伤 类别1
  生殖毒性 类别2
  水生慢性毒性 类别3
  急性毒性 类别4(经皮)
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H318 |造成严重眼损伤.
  H361 |怀疑对生育能力或胎儿造成损害.
  H412 |对水生生物有害并具有长期持续影响.
  H312 |皮肤接触有害.
  H361d |怀疑对胎儿造成损害.
• 防范说明P202-P273-P280-P301+P312-P305+P351+P338-P308+P313
• UN编号NONH for all modes of transport
• 危险品标志Xn,C,F
• 安全声明26-39-24/25-45-36/37/39-16
• 危险类别码22-41-34-11
• WGK Germany3

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 1-Naphthaleneacetamide 主要起始原料 1-Naphthaleneacetic Acid
• 132-75-2 = 86-86-2
  反应条件:1.1 Reagents: Carbon Dioxide,Water Catalysts: Phosphonium,Tetrabutyl-,Salt With 2(1H)-Pyridinone (1:1); 12 H,100 °C
  标题:A Co2-Mediated Base Catalysis Approach For The Hydration Of Triple Bonds In Ionic Liquids
  作者:Tang,Minhao; Et Al
  参考文献:Green Chemistry 日期:2021 卷标:23(24) 页码:9870-9875]
  
  132-75-2 = 86-86-2
  反应条件:1.1 Reagents: Water Catalysts: Cesium Carbonate Solvents: Isopropanol,Water; 15 Min,150 °C
  标题:Efficient And Practical Transition Metal-Free Catalytic Hydration Of Organonitriles To Amides
  作者:Tu,Tao; Et Al
  参考文献:Green Chemistry 日期:2012 卷标:14(4) 页码:921-924]
  
  4372-76-3 = 86-86-2
  反应条件:1.1 Reagents: Ammonium Hydroxide,Argentate(1-),Bis(Nitrato-O,O′)-,(T-4)- Solvents: 1,4-Dioxane,Water
  标题:A Method For Conversion Of Carboxylic Acids To Higher Homologs Or Their Derivatives
  作者:Arndt,F.; Et Al
  参考文献:Berichte Der Deutschen Chemischen Gesellschaft [abteilung] B: Abhandlungen 日期:1935 卷标:68 页码:200-8]
  
  2415798-41-1 = 86-86-2
  反应条件:1.1 Reagents: Ammonium Carbonate Solvents: Dimethyl Sulfoxide; 6 H,25 °C
  标题:Transamidation For The Synthesis Of Primary Amides At Room Temperature
  作者:Chen,Jiajia; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(9) 页码:3504-3508]
  
  80817-92-1 = 86-86-2
  反应条件:1.1 Reagents: Tetrabutylammonium Hexafluorophosphate Catalysts: Iron Chloride (Fecl3) Solvents: Acetonitrile,Water; 24 H,Rt
  标题:Fe(Iii)-Catalysed Selective C-N Bond Cleavage Of N-Phenylamides By An Electrochemical Method
  作者:Xu,Yiwen; Et Al
  参考文献:Rsc Advances 日期:2022 卷标:12(37) 页码:24217-24221]
  
  941-98-0 = 86-86-2
  反应条件:1.1 Reagents: Ammonium Sulfide ((Nh4)2(Sx)) Solvents: Water; 3 - 4 D,210 - 230 °C
  标题:Sulfur
  作者:Morrison,James A.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001 卷标:1 页码:1-6]
  
  5121-00-6 + 68-34-8 = 86-86-2
  反应条件:1.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane; Overnight,0 °C -> Rt2.1 Reagents: Ammonium Carbonate Solvents: Dimethyl Sulfoxide; 6 H,25 °C
  标题:Transamidation For The Synthesis Of Primary Amides At Room Temperature
  作者:Chen,Jiajia; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(9) 页码:3504-3508]
  
  62501-45-5 = 86-86-2
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Water; Ph 7 - 8,Rt2.1 Reagents: Dicyclohexylcarbodiimide Solvents: Chloroform,Dichloromethane; Cooled; 1 H,Cooled3.1 Solvents: Chloroform; Rt
  标题:Carboxyl Activation Of 2-Mercapto-4,6-Dimethylpyrimidine Through N-Acyl-4,6-Dimethylpyrimidine-2-Thione: A Chemical And Spectrophotometric Investigation
  作者:Rajan,M. P.
  参考文献:Asian Journal Of Chemistry 日期:2015 卷标:27(1) 页码:287-291]
  
  132-75-2 = 86-86-2
  反应条件:1.1 Reagents: Acetamide Catalysts: Palladium Chloride Solvents: Tetrahydrofuran,Water; 22 H,Rt
  标题:Mild And Reversible Dehydration Of Primary Amides With Pdcl2 In Aqueous Acetonitrile
  作者:Maffioli,Sonia I.; Et Al
  参考文献:Organic Letters 日期:2005 卷标:7(23) 页码:5237-5239]
  
  86-87-3 = 86-86-2
  反应条件:1.1 Reagents: Cyanuric Chloride,Potassium Carbonate; 1 Min,Rt1.2 Reagents: Ammonium Thiocyanate Solvents: Tetrahydrofuran; 5 Min,Rt
  标题:Mechanochemical Synthesis Of Primary Amides From Carboxylic Acids Using Tct/nh4Scn
  作者:Jaita,Subin; Et Al
  参考文献:Tetrahedron Letters 日期:2018 卷标:59(39) 页码:3571-3573]
  
  86-87-3 = 86-86-2
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dichloromethane; 0 °C; 2 H,Reflux1.2 Reagents: Ammonia Solvents: Tetrahydrofuran,Water; 0 °C; Overnight,Rt
  标题:Development Of [18F]Maleimide-Based Glycogen Synthase Kinase-3β Ligands For Positron Emission Tomography Imaging
  作者:Hu,Kongzhen; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2017 卷标:8(3) 页码:287-292]
  
  = 86-86-2
  反应条件:1.1 Catalysts: 2,5-Dioxo-1-Pyrrolidinesulfonic Acid; 2 Min,Rt
  标题:A Succinimide-N-Sulfonic Acid Catalyst For Acetylation Reactions In Absence Of A Solvent
  作者:Shirini,Farhad; Et Al
  参考文献:Cuihua Xuebao 日期:2013 卷标:34(4) 页码:695-703]
  
  = 86-86-2
  反应条件:1.1 Solvents: Chloroform; Rt
  标题:Carboxyl Activation Of 2-Mercapto-4,6-Dimethylpyrimidine Through N-Acyl-4,6-Dimethylpyrimidine-2-Thione: A Chemical And Spectrophotometric Investigation
  作者:Rajan,M. P.
  参考文献:Asian Journal Of Chemistry 日期:2015 卷标:27(1) 页码:287-291]
  
  5121-00-6 = 86-86-2
  反应条件:1.1 Reagents: Hexamethyldisilazane Solvents: Dichloromethane; 0 °C; 0 °C -> Rt; Overnight,Rt1.2 Reagents: Hydrochloric Acid,Ammonium Chloride Solvents: Water; Rt
  标题:Pd(Oac)2-Catalyzed Lactonization Of Arylacetamides Involving Oxidation Of C-H Bonds
  作者:Uemura,Takeshi; Et Al
  参考文献:Chemistry Letters 日期:2015 卷标:44(5) 页码:621-623]
  
  22325-27-5 = 86-86-2
  反应条件:1.1 Reagents: Dicyclohexylcarbodiimide Solvents: Chloroform,Dichloromethane; Cooled; 1 H,Cooled2.1 Solvents: Chloroform; Rt
  标题:Carboxyl Activation Of 2-Mercapto-4,6-Dimethylpyrimidine Through N-Acyl-4,6-Dimethylpyrimidine-2-Thione: A Chemical And Spectrophotometric Investigation
  作者:Rajan,M. P.
  参考文献:Asian Journal Of Chemistry 日期:2015 卷标:27(1) 页码:287-291]
  
  = 86-86-2
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; Overnight,0 °C -> Rt2.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane; Overnight,0 °C -> Rt3.1 Reagents: Ammonium Carbonate Solvents: Dimethyl Sulfoxide; 6 H,25 °C
  标题:Transamidation For The Synthesis Of Primary Amides At Room Temperature
  作者:Chen,Jiajia; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(9) 页码:3504-3508]
  
  = 86-86-2
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethanol,Water; 2 H,Reflux2.1 Reagents: Sodium Bicarbonate Solvents: Water; Ph 7 - 8,Rt3.1 Reagents: Dicyclohexylcarbodiimide Solvents: Chloroform,Dichloromethane; Cooled; 1 H,Cooled4.1 Solvents: Chloroform; Rt
  标题:Carboxyl Activation Of 2-Mercapto-4,6-Dimethylpyrimidine Through N-Acyl-4,6-Dimethylpyrimidine-2-Thione: A Chemical And Spectrophotometric Investigation
  作者:Rajan,M. P.
  参考文献:Asian Journal Of Chemistry 日期:2015 卷标:27(1) 页码:287-291

海关参考信息

• 2902600000-乙苯
  2902902000-精萘
  2912110000-甲醛
  2912120000-乙醛
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