CAS: 883-99-8; Methyl 3-Hydroxy-2-Naphthoate

• 英文名称Methyl 3-Hydroxy-2-Naphthoate
• 中文名称3-羟基-2-萘甲酸甲酯
• IUPAC名称methyl 3-hydroxynaphthalene-2-carboxylate
• 其它别名2-萘甲酸,3-羟基-,甲酯; Methyl 3-Hydroxynaphthalene-2-Carboxylate
• CAS编号883-99-8
• MFCD编号:MFCD00004099
• EINECS号:212-936-9
• FDA UNII编号:QCA37S018N
• 分子式:C12H10O3
• 分子量:202.21
• 产品CID: 1894596
• 产品分类有机原料→分子砌块→芳环类化合物→萘类化合物

• 相似结构搜索
• InChIKey: YVVBECLPRBAATK-UHFFFAOYSA-N
• InChI=1S/C12H10O3/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7,13H,1H3…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

相似化合物

物理性质

• 熔点73-75 °C
• 沸点205-207 °C at 760 mmHg
• 闪点142.5±13.2 °C
• 密度1.3±0.1 g/cm3
• pKa:9.36±0.40(预测)
• PSA:46.53
• LogP:2.332
• 折射率1.642
• 蒸汽压0.0±0.7 mmHg at 25°C
• 敏感性常温常压下稳定，避免氧化物 强碱接触
• 外观形态淡黄色至黄色至橙色粉末至晶体
• 储存条件惰性气氛,室温

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  严重眼刺激 类别2A
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 防范说明P261-P264-P271-P280-P302+P352
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36
• 危险类别码36/37/38
• WGK Germany2.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 92-70-6 = 883-99-8
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone,Water; 3.5 H,Rt; Rt
  标题:Necrosis Avidity Of 99Mtc(Co)3-Labeled Pamoic Acid Derivatives: Synthesis And Preliminary Biological Evaluation In Animal Models Of Necrosis
  作者:Fonge,Humphrey; Et Al
  参考文献:Bioconjugate Chemistry 日期:2007 卷标:18(6) 页码:1924-1934]
  
  92-70-6 = 883-99-8
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: 1-Butyl-3-Methylimidazolium Hexafluorophosphate; 10 - 15 Min,Rt1.2 15 Min,40 °C
  标题:Chemoselective Esterification Of Phenolic Acids In The Presence Of Sodium Bicarbonate In Ionic Liquids
  作者:Singh,Pradeep Pratap; Et Al
  参考文献:Synthetic Communications 日期:2008 卷标:38(6) 页码:928-936]
  
  = 883-99-8
  反应条件:1.1 Reagents: Pyridine N-Oxide Catalysts: Tri-P-Tolylphosphine,Rhodium(1+),Bis[(1,2,5,6-η)-1,5-Cyclooctadiene]-,1,1,1-Trifluoromethanesulfona... Solvents: Chlorobenzene; 15 H,100 °C
  标题:De Novo Synthesis Of Phenols And Naphthols Through Oxidative Cycloaromatization Of Dienynes
  作者:Rong,Ming-Guang; Et Al
  参考文献:Organic Letters 日期:2018 卷标:20(19) 页码:6289-6293]
  
  89489-28-1 + 188990-08-1 = 883-99-8
  反应条件:1.1 Reagents: Diisopropylamine Catalysts: Trichloroethylene,Cuprous Iodide,Tris(Dibenzylideneacetone)Dipalladium; 12 - 24 H,Rt1.2 Solvents: Toluene; Rt -> 120 °C; Overnight,120 °C
  标题:The Ketene-Surrogate Coupling. Catalytic Conversion Of Aryl Iodides Into Aryl Ketenes Through Ynol Ethers
  作者:Zhang,Wenhan; Et Al
  参考文献:Angewandte Chemie 日期:2014 卷标:53(34) 页码:8980-8984]
  
  92-70-6 = 883-99-8
  反应条件:1.1 Catalysts: Bis(8-Quinolinolato)Copper Solvents: Dimethyl Sulfoxide,Water; 24 H,120 °C1.2 Reagents: Sodium Sulfite Solvents: Water
  标题:Copper-Catalyzed Methyl Esterification Reactions Via C-C Bond Cleavage
  作者:Zhu,Yan; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2013 卷标:78(19) 页码:9898-9905]
  
  2093248-97-4 = 883-99-8
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 8 H,Rt1.2 Reagents: Water; Rt2.1 Reagents: Pyridine N-Oxide Catalysts: Tri-P-Tolylphosphine,Rhodium(1+),Bis[(1,2,5,6-η)-1,5-Cyclooctadiene]-,1,1,1-Trifluoromethanesulfona... Solvents: Chlorobenzene; 15 H,100 °C
  标题:De Novo Synthesis Of Phenols And Naphthols Through Oxidative Cycloaromatization Of Dienynes
  作者:Rong,Ming-Guang; Et Al
  参考文献:Organic Letters 日期:2018 卷标:20(19) 页码:6289-6293]
  
  92-70-6 = 883-99-8
  反应条件:1.1 Reagents: Thionyl Chloride; 0 °C; 10 Min,0 °C; 0 °C -> Reflux; Overnight,Reflux
  标题:Construction Of C-N Atropisomers By Aminocatalytic Enantioselective Addition Of Indole-2-Carboxaldehydes To O-Quinone Derivatives
  作者:Corti,Vasco; Et Al
  参考文献:Chemistry - A European Journal 日期:2022 卷标:28(60)]
  
  92-70-6 = 883-99-8
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Methanol; 10 Min,0 °C; 10 H,0 °C -> Reflux
  标题:Organocatalytic Atroposelective Construction Of Axially Chiral Arylquinones
  作者:Zhu,Shuai; Et Al
  参考文献:Nature Communications 日期:2019 卷标:10(1) 页码:1-10]
  
  2412156-20-6 = 883-99-8
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Toluene; 12 H,100 °C
  标题:Synthesis Of Polysubstituted 2-Naphthols By Palladium-Catalyzed Intramolecular Arylation/aromatization Cascade
  作者:Cai,Jinhui; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2020 卷标:362(6) 页码:1303-1308]
  
  425376-47-2 = 883-99-8
  反应条件:1.1 Reagents: Sodium Hydride,Copper,Hexa-μ3-Hydrohexakis(Triphenylphosphine)Hexa-,Octahedro Solvents: Dimethyl Sulfoxide; 3.5 H,25 °C
  标题:Nucleophilic Partners In The Tandem Conjugate Addition-Dieckmann Condensation Reaction. 1. Synthesis Of 1,2,3-Trisubstituted Naphthalenes
  作者:Martinez,Aaron D.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2004 卷标:69(3) 页码:991-992]
  
  86182-02-7 = 883-99-8 [标题:Reaction Conditions
  标题:Phthalazines. Xiv. Reaction Of Phthalazine 2-Oxide With Acetylenic Dienophiles
  作者:Oishi,Etsuo; Et Al
  参考文献:Yakugaku Zasshi 日期:1983 卷标:103(1) 页码:34-42]
  
  92-70-6 = 883-99-8
  反应条件:1.1 Reagents: Cesium Carbonate Solvents: Dimethylformamide; 90 Min,Rt
  标题:Photocatalytic Dehydrogenative Lactonization Of 2-Arylbenzoic Acids
  作者:Ramirez,Nieves P.; Et Al
  参考文献:Organic Letters 日期:2015 卷标:17(18) 页码:4550-4553]
  
  3433-80-5 + 105-45-3 = 883-99-8
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Acetone; 30 Min,Rt1.2 Rt; 24 H,Reflux; Reflux -> Rt1.3 Reagents: Cesium Carbonate Solvents: Acetonitrile; 1 H,0 °C1.4 Reagents: N-Fluorobenzenesulfonimide; 0 °C; Overnight,Rt2.1 Reagents: Cesium Carbonate Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Toluene; 12 H,100 °C
  标题:Synthesis Of Polysubstituted 2-Naphthols By Palladium-Catalyzed Intramolecular Arylation/aromatization Cascade
  作者:Cai,Jinhui; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2020 卷标:362(6) 页码:1303-1308]
  
  79-01-6 = 883-99-8
  反应条件:1.1 Reagents: Potassium Hydride Solvents: Diethyl Ether; Rt1.2 Solvents: Diethyl Ether; -40 °C; 1 - 2 H,Rt; Rt -> -78 °C1.3 Reagents: Butyllithium Solvents: Water; 30 Min,-78 °C -> -50 °C; 1 H,-50 °C1.4 Solvents: Water; -50 °C2.1 Reagents: Diisopropylamine Catalysts: Trichloroethylene,Cuprous Iodide,Tris(Dibenzylideneacetone)Dipalladium; 12 - 24 H,Rt2.2 Solvents: Toluene; Rt -> 120 °C; Overnight,120 °C
  标题:The Ketene-Surrogate Coupling. Catalytic Conversion Of Aryl Iodides Into Aryl Ketenes Through Ynol Ethers
  作者:Zhang,Wenhan; Et Al
  参考文献:Angewandte Chemie 日期:2014 卷标:53(34) 页码:8980-8984]
  
  1067-74-9 + 77123-58-1 = 883-99-8
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran; 0 °C; 0 °C -> Rt; 30 Min,Rt; Rt -> 0 °C1.2 Solvents: Tetrahydrofuran; 0.5 - 3 H,0 °C1.3 Reagents: Ammonium Chloride Solvents: Water2.1 Reagents: Potassium Carbonate Solvents: Methanol; 8 H,Rt2.2 Reagents: Water; Rt3.1 Reagents: Pyridine N-Oxide Catalysts: Tri-P-Tolylphosphine,Rhodium(1+),Bis[(1,2,5,6-η)-1,5-Cyclooctadiene]-,1,1,1-Trifluoromethanesulfona... Solvents: Chlorobenzene; 15 H,100 °C
  标题:De Novo Synthesis Of Phenols And Naphthols Through Oxidative Cycloaromatization Of Dienynes
  作者:Rong,Ming-Guang; Et Al
  参考文献:Organic Letters 日期:2018 卷标:20(19) 页码:6289-6293

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