CAS: 93-44-7; 2-Naphthyl Benzoate

• 英文名称2-Naphthyl Benzoate
• 中文名称苯甲酸-2-萘酯
• IUPAC名称naphthalen-2-yl benzoate
• 其它别名苯甲酸2-萘酯; 苯甲酸2萘酯; Naphthalen-2-Yl Benzoate; 2-Naphthyl Benzoate
• CAS编号93-44-7
• MFCD编号:MFCD00014320
• EINECS号:202-247-1
• FDA UNII编号:1BKX98E2B1
• 分子式:C17H12O2
• 分子量:248.28
• 产品CID: 1973908
• 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: DWJIJRSTYFPKGD-UHFFFAOYSA-N
• InChI=1S/C17H12O2/c18-17(14-7-2-1-3-8-14)19-16-11-10-13-6-4-5-9-15(13)12-16/h1-12H…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数2.0

相似化合物

物理性质

• 熔点105-109 °C
• 沸点413.5°C at 760 mmHg
• 闪点174.6 °C
• 密度1.0768 - 1.1136 g/cm3 (160 - 110 C)
• PSA:26.3
• LogP:4.059
• 折射率1.652
• 蒸汽压4.77E-07 mmHg at 25 °C
• 溶解性Insoluble
• 外观形态白色至淡黄色至浅红色粉末至晶体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于石蜡的加固剂.

MSDS等安全信息

• GHS符号GHS07
• 危险类别水生慢性毒性 类别4
• 警示词Warning
• 危险描述H413 |可能对水生生物造成长期有害影响.
• 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IRRITANT
• 安全声明24/25

欧盟法规

上下游产品

合成工艺路线路线简述

• 65-85-0 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Oxobis(2,4-Pentanedionato-Ko2,Ko4)Titanium Solvents: Xylene; 36 H,Reflux; Reflux -> Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Direct Atom-Efficient Esterification Between Carboxylic Acids And Alcohols Catalyzed By Amphoteric,Water-Tolerant Tio(Acac)2
  作者:Chen,Chien-Tien; Munot,Yogesh S.
  参考文献:Journal Of Organic Chemistry 日期:2005 卷标:70(21) 页码:8625-8627]
  
  98-88-4 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Trifluoromethanesulfonic Acid Solvents: Acetonitrile; 1 H,Rt
  标题:Comparisons Of O-Acylation And Friedel-Crafts Acylation Of Phenols And Acyl Chlorides And Fries Rearrangement Of Phenyl Esters In Trifluoromethanesulfonic Acid: Effective Synthesis Of Optically Active Homotyrosines
  作者:Murashige,Ryo; Hayashi,Yuka; Ohmori,Syo; Torii,Ayuko; Aizu,Yoko; Et Al
  参考文献:Tetrahedron 日期:2011 卷标:67(3) 页码:641-649]
  
  769-78-8 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Dabco; 10 Min,70 °C -> 140 °C
  标题:The First Vinyl Acetate Mediated Organocatalytic Transesterification Of Phenols: A Step Towards Sustainability
  作者:Kumar,Manoj; Bagchi,Sourav; Sharma,Anuj
  参考文献:New Journal Of Chemistry 日期:2015 卷标:39(11) 页码:8329-8336]
  
  135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Zirconium Oxychloride Octahydrate Solvents: Dichloromethane; 21 H,Rt
  标题:Facile Catalyzed Acylation Of Alcohols,Phenols,Amines And Thiols Based On Zrocl2.8H2O And Acetyl Chloride In Solution And In Solvent-Free Conditions
  作者:Ghosh,Rina; Maiti,Swarupananda; Chakraborty,Arijit
  参考文献:Tetrahedron Letters 日期:2005 卷标:46(1) 页码:147-151]
  
  65-85-0 + 135-19-3 = 93-44-7
  反应条件:1.1 Reagents: Trifluoroacetic Anhydride Catalysts: Indium Trichloride; 10 - 60 Min,Rt
  标题:Indium(Iii) Chloride As A New,Highly Efficient,And Versatile Catalyst For Acylation Of Phenols,Thiols,Alcohols,And Amines
  作者:Chakraborti,Asit K.; Gulhane,Rajesh
  参考文献:Tetrahedron Letters 日期:2003 卷标:44(35) 页码:6749-6753]
  
  2797-52-6 + 135-19-3 = 93-44-7
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; 5 H,80 °C
  标题:Acyl Maleic Hydrazides As Versatile Acyl Transferring Agents
  作者:Mashraqui,Sabir H.; Shivalji,Jadhav L.
  参考文献:Journal Of Chemical Research 日期:2003 卷标:(3) 页码:121-123]
  
  18081-08-8 + 93-97-0 = 93-44-7
  反应条件:1.1 Catalysts: Bismuth Triflate Solvents: Acetonitrile
  标题:Efficient And Selective Conversion Of Trimethylsilyl And Tetrahydropyranyl Ethers To Their Corresponding Acetates And Benzoates Catalyzed By Bismuth(Iii) Salts
  作者:Mohammadpoor-Baltork,Iraj; Khosropour,Ahmad R.
  参考文献:Monatshefte Fuer Chemie 日期:2002 卷标:133(2) 页码:189-193]
  
  93-97-0 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Bismuth Triflate Solvents: Acetonitrile
  标题:Bismuth(Iii) Salts As Convenient And Efficient Catalysts For The Selective Acetylation And Benzoylation Of Alcohols And Phenols
  作者:Mohammadpoor-Baltork,I.; Aliyan,H.; Reza Khosropour,A.
  参考文献:Tetrahedron 日期:2001 卷标:57(27) 页码:5851-5854]
  
  98-88-4 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Titania; 5.3 H,25 °C
  标题:Tio2,A Simple And An Efficient Catalyst For Esterification Of Phenols Under Solvent-Free Condition
  作者:Pasha,Mohamed Afzal; Manjula,Krishnappa
  参考文献:Indian Journal Of Chemistry 日期:2008 卷标:(4) 页码:597-600]
  
  93-97-0 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Bismuth Triflate Solvents: Dichloromethane1.2 Reagents: Methanol
  标题:Highly Efficient And Versatile Acylation Of Alcohols With Bi(Otf)3 As Catalyst
  作者:Orita,Akihiro; Tanahashi,Chiaki; Kakuda,Atsushi; Otera,Junzo
  参考文献:Angewandte Chemie 日期:2000 卷标:39(16) 页码:2877-2879]
  
  93-97-0 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Oxobis(1,1,1-Trifluoromethanesulfonato-Ko)Vanadium; 80 H,Rt
  标题:Process For Acyl Substitution Of Anhydrides With Active Hydrogen Compounds In The Presence Of Vanadyl Salt Catalysts
  参考文献:United States]
  
  98-88-4 + 135-19-3 = 93-44-7
  反应条件:1.1 Reagents: Triethylamine Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane; 0 °C; 0 °C -> Rt; 4 H,Rt1.2 Reagents: Water; Rt
  标题:Reductive C-O,C-N,And C-S Cleavage By A Zirconium Catalyzed Hydrometalation/β-Elimination Approach
  作者:Matt,Christof; Koelblin,Frederic; Streuff,Jan
  参考文献:Organic Letters 日期:2019 卷标:21(17) 页码:6983-6988]
  
  1523-15-5 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Tributylamine Solvents: Pyridine; 24 H,Rt
  标题:Bis(2,4-Dinitrophenyl) Carbonate
  作者:Hamilton,Niall M.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001 卷标:1]
  
  93-97-0 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Molybdenum Chloride Oxide (Mocl2O2),(T-4)- Solvents: Dichloromethane; Rt; 30 Min,Rt1.2 70 H,Rt1.3 Reagents: Water; Cooled
  标题:Nucleophilic Acyl Substitutions Of Anhydrides With Protic Nucleophiles Catalyzed By Amphoteric,Oxomolybdenum Species
  作者:Chen,Chien-Tien; Kuo,Jen-Huang; Pawar,Vijay D.; Munot,Yogesh S.; Weng,Shieu-Shien; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2005 卷标:70(4) 页码:1188-1197]
  
  93-97-0 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Bismuth Triflate Solvents: Dichloromethane
  标题:Highly Powerful And Practical Acylation Of Alcohols With Acid Anhydride Catalyzed By Bi(Otf)3
  作者:Orita,Akihiro; Tanahashi,Chiaki; Kakuda,Atsushi; Otera,Junzo
  参考文献:Journal Of Organic Chemistry 日期:2001 卷标:66(26) 页码:8926-8934]
  
  613-90-1 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: 4-(Dimethylamino)Pyridine Solvents: 1H-Imidazolium,3-(2-Methoxyethyl)-1-Methyl-,Methanesulfonate (1:1); 25 - 30 °C
  标题:Green' Methodology For Efficient And Selective Benzoylation Of Nucleosides Using Benzoyl Cyanide In An Ionic Liquid
  作者:Prasad,Ashok K.; Kumar,Vineet; Malhotra,Shashwat; Ravikumar,Vasulinga T.; Sanghvi,Yogesh S.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2005 卷标:13(14) 页码:4467-4472]
  
  98-88-4 + 135-19-3 = 93-44-7
  反应条件:1.1 120 Min,60 °C
  标题:Isolation Of An Inclusion Complex Of Naphthol And Its Benzoate As An Intermediate In The Solvent-Free Benzoylation Reaction Of Naphthol
  作者:Nakamatsu,Seiken; Yoshizawa,Kazuhiro; Toyota,Sinji; Toda,Fumio; Matijasic,Ivanka
  参考文献:Organic & Biomolecular Chemistry 日期:2003 卷标:1(13) 页码:2231-2234]
  
  98-88-4 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Divinylbenzene-4-Vinylpyridine Copolymer Solvents: Acetone; 30 Min,50 °C1.2 Reagents: Potassium Carbonate; 1 H,50 °C
  标题:Convenient Synthesis Of Benzoate Esters Mediated By Polymer Supported Benzoyl Chloride
  作者:Zarchi,Mohammad Ali Karimi; Mirjalili,Bibi Fatemeh; Aval,Ali Kheradmand
  参考文献:Journal Of Applied Polymer Science 日期:2010 卷标:115(1) 页码:237-241]
  
  100-52-7 + 135-19-3 = 93-44-7
  反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Palladium Diacetate,1H-Imidazolium,1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-4,5-Dihydro-,Chloride (1:... Solvents: Xylene; 24 H,100 °C
  标题:Palladium/nhc-Catalyzed Oxidative Esterification Of Aldehydes With Phenols
  作者:Zhang,Man-Li; Zhang,Shou-Hui; Zhang,Guo-Ying; Chen,Fan; Cheng,Jiang
  参考文献:Tetrahedron Letters 日期:2011 卷标:52(19) 页码:2480-2483]
  
  93-97-0 + 135-19-3 = 93-44-7
  反应条件:1.1 Catalysts: Perchloric Acid (Solid Supported),Silica; 15 Min,80 °C
  标题:A Process For The Acylation Of Various Substrates Using A Solid Support Catalyst
  参考文献:India

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