CAS: 794-94-5; 4-Methoxybenzoic Anhydride

• 英文名称4-Methoxybenzoic Anhydride
• 中文名称4-甲氧基苯甲酸酐
• IUPAC名称4-methoxybenzoic anhydride
• 其它别名P-Anisicacidanhydride; P-Methoxybenzoic Anhydride; P-Methoxybenzoicanhydride; 4-Anisic Anhydride; 4-Methoxybenzoic Anhydride; 4-Methoxybenzoic Acid Anhydride; P-Anisic Anhydride; P-Methoxybenzoic Acid Anhydride
• CAS编号794-94-5
• MFCD编号:MFCD00017175
• EINECS号:212-345-6
• FDA UNII编号:8835J9XXY8
• 分子式:C16H14O5分子量:286.28
• 产品CID: 1789404
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: YGMHIBLUWGDWKP-UHFFFAOYSA-N
• InChI=1S/C16H14O5/c1-19-13-7-3-11(4-8-13)15(17)21-16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
• 计算化学: 氢键受体数5.0氢键供体数*可旋转键数4.0

物理性质

• 熔点92-97 °C
• 沸点310 °C at 10 mmHg
• 闪点202.3 °C
• 密度1.219 g/cm3
• PSA:61.83
• LogP:2.701
• 折射率1.563
• 蒸汽压2.06E-08 mmHg at 25 °C
• 溶解性Soluble In Alcohol, Ether. Insoluble In Water.
• 敏感性易受潮
• 外观形态白色至淡黄色粉末至晶体
• 储存条件2-8°C
• 产品应用该化合物用于药物中间体.

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
• 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.
• 防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
• 危险等级IRRITANT, MOISTURE SENSITIVE
• 危险品标志Xi
• 安全声明26-36
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 100-09-4 = 794-94-5
  反应条件:1.1 Reagents: Thionyl Chloride,Pyridine,4-Ethenyl-,Polymer With Diethenylbenzene And 1-Ethenyl-4-Ethylbenzene Solvents: Dichloromethane
  标题:Phase-Managed Organic Synthesis. 3. Symmetrical Anhydrides From Carboxylic Acids Via Polymer-Assisted Reaction
  作者:Fife,Wilmer K.; Zhang,Zhi Dong
  参考文献:Tetrahedron Letters 日期:1986 卷标:27(41) 页码:4937-40]
  
  = 794-94-5
  反应条件:1.1 Reagents: Triethylamine,Water Solvents: Acetone; 120 Min,Rt
  标题:Investigation Of The Yamaguchi Esterification Mechanism. Synthesis Of A Lux-S Enzyme Inhibitor Using An Improved Esterification Method
  作者:Dhimitruka,Ilirian; Santa Lucia,John Jr.
  参考文献:Organic Letters 日期:2006 卷标:8(1) 页码:47-50]
  
  155164-68-4 = 794-94-5
  反应条件:1.1 Reagents: Zinc Chloride,Oxygen Solvents: Acetonitrile; 7 H,Reflux
  标题:Zncl2-Mediated Synthesis Of Carboxylic Anhydrides Using 2-Acyl-4,5-Dichloropyridazin-3(2H)-Ones
  作者:Park,Yong-Dae; Kim,Jeum-Jong; Kim,Ho-Kyun; Cho,Su-Dong; Kang,Young-Jin; Et Al
  参考文献:Synthetic Communications 日期:2005 卷标:35(3) 页码:371-378]
  
  100-09-4 = 794-94-5
  反应条件:1.1 Reagents: 4-(Dimethylamino)Pyridine,4,5-Dichloro-2-[(4-Nitrophenyl)Sulfonyl]-3(2H)-Pyridazinone Solvents: Tetrahydrofuran; 23 H,Reflux; Reflux -> Rt1.2 Solvents: Dichloromethane; Rt
  标题:Facile Synthesis Of Carboxylic Anhydrides Using 4,5-Dichloro-2-[(4-Nitrophenyl)Sulfonyl]Pyridazin-3(2H)-One
  作者:Kim,Jeum-Jong; Park,Yong-Dae; Lee,Woo Song; Cho,Su-Dong; Yoon,Yong-Jin
  参考文献:Synthesis 日期:2003 卷标:(10) 页码:1517-1520]
  
  100-09-4 + 52509-81-6 = 794-94-5
  反应条件:1.1 Reagents: Trichloroisocyanuric Acid,Triphenylphosphine Solvents: Dichloromethane1.2 15 Min,Rt1.3 40 Min,Rt
  标题:Facile And Direct Synthesis Of Symmetrical Acid Anhydrides Using A Newly Prepared Powerful And Efficient Mixed Reagent
  作者:Rouhi-Saadabad,Hamed; Akhlaghinia,Batool
  参考文献:Chemical Papers 日期:2015 卷标:69(3) 页码:479-485]
  
  100-09-4 = 794-94-5 [标题:Reaction Conditions
  标题:Synthesis Of Biaryls Via Decarbonylative Nickel-Catalyzed Suzuki-Miyaura Cross-Coupling Of Aryl Anhydrides
  作者:Zhou,Jing-Ya; Liu,Rui-Qing; Wang,Cheng-Yi; Zhu,Yong-Ming
  参考文献:Journal Of Organic Chemistry 日期:2020 卷标:85(21) 页码:14149-14157]
  
  100-09-4 = 794-94-5
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide Solvents: Toluene; Rt -> 70 °C; 1 H,70 °C1.2 Reagents: Pyridine Solvents: Toluene; 0 °C1.3 20 °C; 2 H,Reflux
  标题:Organocatalytic Desymmetrisation Of Fittig'S Lactones: Deuterium As A Reporter Tag For Hidden Racemisation
  作者:Spranitz,Peter; Soregi,Petra; Botlik,Bence Bela; Berta,Mate; Soos,Tibor
  参考文献:Synthesis 日期:2019 卷标:51(5) 页码:1263-1272]
  
  100-09-4 = 794-94-5
  反应条件:1.1 Catalysts: Tosyl Chloride (Reaction Product With Pvb Cross-Linked Poly(4-Vinylpyridine)),Poly(4-Vinylpyridine) (Reaction Product With Tosyl Chloride And With Pvb Cross-Linked) Solvents: Dichloromethane; 30 Min,Rt1.2 Reagents: Potassium Carbonate; 20 Min,Rt
  标题:A Mild,Clean,And Simple Synthesis Of Symmetrical Carboxylic Anhydrides From Carboxylic Acids Using A Polymer Supported Tosyl Chloride
  作者:Zarchi,M. A. Karimi; Mirjalili,B. F.; Kahrizsangi,Z. Shamsi; Tayefi,M.
  参考文献:Journal Of The Iranian Chemical Society 日期:2010 卷标:7(2) 页码:455-460]
  
  100-09-4 = 794-94-5
  反应条件:1.1 Reagents: Dimethylformamide,2,4,6-Trimethylpyridine,Carbon Tetrabromide; 0.5 H,Rt
  标题:Light-Enabled Synthesis Of Anhydrides And Amides
  作者:Mccallum,Terry; Barriault,Louis
  参考文献:Journal Of Organic Chemistry 日期:2015 卷标:80(5) 页码:2874-2878]
  
  1335-08-6 = 794-94-5
  反应条件:1.1 Reagents: Triphosgene Catalysts: Dimethylformamide Solvents: Tetrahydrofuran; 2.5 H,50 °C; 0.5 H,50 °C
  标题:An Efficient Method For Preparation Of Acyl Chlorides And Symmetrical Anhydrides From Carboxylic Acids With Btc/dmf
  作者:Chen,Zhiwei; Jiang,Ling; Su,Weike; Xu,Zhijun
  参考文献:Journal Of The Chemical Society Of Pakistan 日期:2012 卷标:34(4) 页码:1003-1006]
  
  100-09-4 + 696-62-8 = 794-94-5
  反应条件:1.1 Reagents: Triethylamine Catalysts: Palladium Diacetate,1,3-Bis(Diphenylphosphino)Propane Solvents: Dimethylformamide; 1 Atm,Rt; 6 H,115 °C
  标题:Carboxylic Acid Anhydrides Via Pd-Catalyzed Carbonylation Of Aryl Halides At Atmospheric Co Pressure
  作者:Li,Yang; Xue,Dong; Wang,Chao; Liu,Zhao-Tie; Xiao,Jianliang
  参考文献:Chemical Communications (Cambridge 日期:2012 卷标:48(9) 页码:1320-1322]
  
  100-09-4 = 794-94-5
  反应条件:1.1 Catalysts: Zirconium Dioxide (Sulfated),Sulfuric Acid,Polyethylene Glycol; Rt; 1.5 H,40 °C
  标题:Efficient And Convenient Synthesis Of Symmetrical Carboxylic Anhydrides From Carboxylic Acids With Sulfated Zirconia By Phase Transfer Catalysis
  作者:Hu,Yu Lin; Zhao,Xing E.; Lu,Ming
  参考文献:Bulletin Of The Chemical Society Of Ethiopia 日期:2011 卷标:25(2) 页码:255-262]
  
  100-09-4 = 794-94-5
  反应条件:1.1 Reagents: Triethylamine,Triphenylphosphine,Iodine Solvents: Dichloromethane; 0 °C -> Rt; 5 - 10 Min,Rt
  标题:Acid Anhydrides And The Unexpected N,N-Diethylamides Derived From The Reaction Of Carboxylic Acids With Ph3P/i2/et3N
  作者:Phakhodee,Wong; Duangkamol,Chuthamat; Wangngae,Sirilak; Pattarawarapan,Mookda
  参考文献:Tetrahedron Letters 日期:2016 卷标:57(3) 页码:325-328]
  
  100-09-4 = 794-94-5
  反应条件:1.1 Catalysts: Oxalyl Chloride,Triphenylphosphine Oxide Solvents: Acetonitrile; Rt; 10 Min,Rt1.2 Reagents: Triethylamine; 1 H,30 °C
  标题:A Facile Synthetic Method For Anhydride From Carboxylic Acid With The Promotion Of Triphenylphosphine Oxide And Oxaloyl Chloride
  作者:Lu,Mengyu; Fan,Huihui; Liu,Qing; Sun,Xiaoling
  参考文献:Acs Omega 日期:2022 卷标:7(38) 页码:34352-34358

海关参考信息

• 2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
  2915110000-甲酸
• 💡 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

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• ➥ 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