CAS: 867-13-0; Ethyl 2-(Diethoxyphosphoryl)Acetate

• 英文名称Ethyl 2-(Diethoxyphosphoryl)Acetate
• 中文名称膦酰基乙酸三乙酯
• IUPAC名称ethyl 2-(diethoxyphosphoryl)acetate
• 其它别名膦酰乙酸三乙脂
• CAS编号867-13-0
• MFCD编号:MFCD00009177
• EINECS号:212-757-6
• FDA UNII编号:022826171T
• 分子式:C8H17O5P
• 分子量:224.19
• 产品CID: 1870372
• 产品分类有机原料→通用试剂→wittig试剂

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: GGUBFICZYGKNTD-UHFFFAOYSA-N
• InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3…
• 计算化学: 氢键受体数5.0氢键供体数0可旋转键数7

相似化合物

物理性质

• 熔点-24°C
• 沸点287.4°C at 760 mmHg
• 闪点165°C
• 密度1.1±0.1 g/cm3
• PSA:61.83
• LogP:1.8156
• 折射率1.424
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态透明液体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用该化合物用于一种试剂,用来制备(S)-丙烯氧化物的2-甲基环丙烷盒酸.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别严重眼刺激 类别2
  急性毒性 类别4(吸入)
  急性毒性 类别4(经口)
  水生慢性毒性 类别2
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H319 |造成严重眼刺激.
  H332 |吸入有害.
  H302 |吞咽有害.
  H411 |对水生生物有毒并具有长期持续影响.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
• 防范说明P264-P273-P280-P305+P351+P338-P501
• 危险等级9
• UN编号UN 3082 9/PG 3
• 危险品标志N,Xi,Xn
• 风险等级Harmful
• 包装等级III
• 安全声明61-37/39-26-36
• 危险类别码51/53-36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 105-36-2 = 867-13-0 [标题:Reaction Conditions
  标题:Domino-Reduction-Aldolization Reactions Catalyzed Inter- And Intramolecularly By Chiral Copper Complexes
  作者:Deschamp,Julia
  参考文献:2008]
  
  105-36-2 = 867-13-0 [标题:Reaction Conditions
  标题:Development Of Catalysts For The Addition Of N-H And O-H To Carbon-Carbon Double Bonds
  作者:Taylor,Jason Guy
  参考文献:2008]
  
  105-36-2 = 867-13-0
  反应条件:1.1 30 Min,60 - 80 °C
  标题:Synthesis And Spectroscopic Characterization Of [1'-14C]Ubiquinone-2,[1'-14C]-5-Demethoxy-5-Hydroxyubiquinone-2,And [1'-14C]-5-Demethoxyubiquinone-2
  作者:Van Der Klei,Anita; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2002 卷标:(17) 页码:3015-3023]
  
  = 867-13-0 [标题:Reaction Conditions
  标题:Studies On The Synthesis Of Vitamin D Metabolites And Analogs. Synthesis Of 1α,3β,25-Trihydroxy-21-Norcholesta-5,7-Diene Triacetate
  作者:Pumar,M. C.; Et Al
  参考文献:Anales De Quimica 日期:1988 卷标:84(1) 页码:105-11]
  
  105-39-5 = 867-13-0
  反应条件:1.1 Catalysts: Iodine; 2 H,80 °C
  标题:Synthesis Of Triethyl Phosphonoacetate Esters Catalyzed By Iodine
  作者:Cai,Xiaohua; Et Al
  参考文献:Huaxue Yanjiu 日期:2006 卷标:17(1) 页码:41-43]
  
  105-39-5 = 867-13-0
  反应条件:1.1 2 H,120 °C; 2 H,165 °C
  标题:Simple Synthesis Of New 3-Substituted 4-(3-Chloro-4-Fluorophenyl)-1H-Pyrrole Derivatives And Their Anticancer Activity In Vitro
  作者:Lan,Lan; Et Al
  参考文献:Heterocycles 日期:2014 卷标:89(2) 页码:375-397]
  
  105-39-5 + 78-40-0 = 867-13-0
  反应条件:1.1 1.5 H,156 °C; 2.5 H,156 °C
  标题:Study On The Synthesis Of Ethyl 2-(Diethoxyphosphoryl)-3-Methylbutanoate
  作者:Zhao,Jianbin; Et Al
  参考文献:Guangdong Huagong 日期:2013 卷标:40(22)]
  
  105-39-5 + 78-40-0 = 867-13-0
  反应条件:1.1 Rt -> 100 °C; 2 H,100 °C
  标题:Synthesis And α-Glucosidase Inhibitory Activity Of Cinnamic Amides
  作者:Cai,Xiao-Hua; Et Al
  参考文献:Youji Huaxue 日期:2007 卷标:27(1) 页码:77-81]
  
  589-57-1 = 867-13-0
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Diethyl Ether1.2 -
  标题:Reaction Of Diethyl Phosphorochloridite With Enolates: A General Method For Synthesis Of β-Keto Phosphonates And α-Phosphono Esters Through Carbon-Phosphorus Bond Formation
  作者:Lee,Koo; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1991 卷标:56(19) 页码:5556-60]
  
  105-39-5 + 762-04-9 = 867-13-0
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Benzyltriethylammonium Chloride Solvents: Dichloromethane,Water
  标题:Synthesis Of Dialkyl Alkoxycarbonylmethanephosphonates (Alkyl Dialkoxyphosphinylacetates) Using Phase-Transfer Catalysis
  作者:Ye,Weizhen; Et Al
  参考文献:Synthesis 日期:1985 卷标:(10) 页码:986-8]
  
  762-04-9 = 867-13-0
  反应条件:1.1 Catalysts: Copper(Ii) Acetylacetonate; Heated
  标题:Diethyl Phosphonite
  作者:Green,Kenneth
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001 卷标:1 页码:1-3]
  
  762-04-9 = 867-13-0
  反应条件:1.1 Catalysts: Copper(Ii) Acetylacetonate Solvents: Benzene
  标题:A New One-Pot Synthesis Of Dialkyl Phosphonates From Diazo Compounds And Dialkyl Hydrogen Phosphites
  作者:Polozov,A. M.; Et Al
  参考文献:Synthesis 日期:1990 卷标:(6) 页码:515-17]
  
  105-36-2 = 867-13-0
  反应条件:1.1 Reagents: Triethyl Phosphite; 5 H,150 °C1.2 Reagents: Phosphorus Pentachloride; 16 H,80 °C
  标题:Rational Design Of A Minimal And Highly Enriched Cyp102A1 Mutant Library With Improved Regio-,Stereo- And Chemoselectivity
  作者:Seifert,Alexander; Et Al
  参考文献:Chembiochem 日期:2009 卷标:10(5) 页码:853-861]
  
  28845-75-2 = 867-13-0 [标题:Reaction Conditions
  标题:Synthesis Of Halogenated Phosphonoacetate Esters
  作者:Mckenna,Charles E.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1986 卷标:51(26) 页码:5467-70]
  
  34159-39-2 = 867-13-0
  反应条件:1.1 Reagents: Water Catalysts: Sulfuric Acid
  标题:Reaction Of Haloacetylenephosphonates With Nucleophilic Anions
  作者:Garibina,V. A.; Et Al
  参考文献:Zhurnal Obshchei Khimii 日期:1985 卷标:55(9) 页码:1994-2006]
  
  1498-42-6 = 867-13-0
  反应条件:1.1 Reagents: Guaiacol,Triethylamine Solvents: Diethyl Ether,Toluene; 0 °C; 30 Min,0 °C; 0 °C -> Rt; 3 H,Rt2.1 30 Min,120 °C
  标题:Asymmetric Gold(I)-Catalyzed Tandem Hydroarylation-Nazarov Cyclization: Enantioselective Access To Cyclopentenones
  作者:Solas,Marta; Et Al
  参考文献:Angewandte Chemie 日期:2022 卷标:61(35)]
  
  237735-33-0 = 867-13-0
  反应条件:1.1 Solvents: Tetrahydrofuran,Water; Rt -> 0 °C1.2 Reagents: N-Methylmorpholine N-Oxide,Osmium Tetroxide Solvents: Water; Overnight,0 °C1.3 Reagents: Sodium Sulfite Solvents: Water1.4 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate,Water1.5 Reagents: Sodium Periodate Solvents: Tetrahydrofuran,Water; 1 H,Rt2.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene,Lithium Chloride
  标题:Enantioselective Total Synthesis Of The Antitumor Macrolide Rhizoxin D
  作者:Lafontaine,Jennifer A.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2003 卷标:68(11) 页码:4215-4234]
  
  615-52-1 = 867-13-0
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol; 0 °C; 2 H,25 °C1.2 Reagents: Phosphorus Oxychloride Solvents: Chloroform; 0 °C; 1 H,25 °C; 3 H,Reflux1.3 Reagents: Sodium Bicarbonate Solvents: Water1.4 Reagents: Sodium Bicarbonate; Basified2.1 Solvents: Triethyl Phosphite; 5 H,150 °C
  标题:Peptidomimetic Vinyl Heterocyclic Inhibitors Of Cruzain Effect Antitrypanosomal Activity
  作者:Chenna,Bala C.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2020 卷标:63(6) 页码:3298-3316]
  
  105-39-5 + 762-04-9 = 867-13-0
  反应条件:1.1 Reagents: Sodium Solvents: Diethyl Ether
  标题:Synthesis Of The Sex Pheromone Of Lygus Lineolaris (Heteroptera Miridae)
  作者:Shakirzyanova,G. S.; Et Al
  参考文献:Chemistry Of Natural Compounds (Translation Of Khimiya Prirodnykh Soedinenii) 日期:2001 卷标:36(6) 页码:623-624]
  
  544429-59-6 + 237735-50-1 = 867-13-0
  反应条件:1.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene,Lithium Chloride
  标题:Enantioselective Total Synthesis Of The Antitumor Macrolide Rhizoxin D
  作者:Lafontaine,Jennifer A.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2003 卷标:68(11) 页码:4215-4234]
  
  762-04-9 = 867-13-0
  反应条件:1.1 Catalysts: Trifluoromethanesulfonic Acid Solvents: Benzene
  标题:Trifluoromethanesulfonic Acid-Catalyzed Reaction Of Diazo Compounds With Dialkyl Phosphites To Form Phosphonates
  作者:Polozov,A. M.; Et Al
  参考文献:Zhurnal Obshchei Khimii 日期:1992 卷标:62(6) 页码:1429-30]
  
  683-08-9 = 867-13-0
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran,Hexane1.2 Solvents: Tetrahydrofuran
  标题:α-Lithioalkylphosphonates As Functional Group Carriers. An In Situ Acrylic Ester Synthesis
  作者:Tay,M. K.; Et Al
  参考文献:Synthetic Communications 日期:1988 卷标:18(12) 页码:1349-62]
  
  683-08-9 = 867-13-0 [标题:Reaction Conditions
  标题:Carboxylic Acid Esters: Synthesis From Carbonic Acid Derivatives
  作者:Collier,S. J.
  参考文献:Science Of Synthesis 日期:2006 卷标:20 页码:665-709]
  
  3095-95-2 = 867-13-0
  反应条件:1.1 Reagents: Pybop Solvents: Dichloromethane; Rt; 2 H,Rt
  标题:Development Of Potent Inhibitors Of The Coxsackievirus 3C Protease
  作者:Lee,Eui Seung; Et Al
  参考文献:Biochemical And Biophysical Research Communications 日期:2007 卷标:358(1) 页码:7-11]
  
  3095-95-2 = 867-13-0
  反应条件:1.1 Reagents: 4-(Dimethylamino)Pyridine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dichloromethane; 30 Min,Rt
  标题:Synthesis And Evaluation Of Designed Pkc Modulators For Enhanced Cancer Immunotherapy
  作者:Hardman,Clayton; Et Al
  参考文献:Nature Communications 日期:2020 卷标:11(1)]
  
  23755-73-9 = 867-13-0
  反应条件:1.1 Reagents: 2,6-Lutidine,Ethyl Vinyl Ether Catalysts: Tris(2,2′-Bipyridyl)Ruthenium(Ii) Chloride Solvents: Acetonitrile; 24 H,Rt
  标题:A Visible Light Ru-Catalyzed Photoredox Access To Substituted Dihydrofurans
  作者:Victoria-Miguel,Jorge; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(14) 页码:9088-9099]
  
  4851-52-9 = 867-13-0
  反应条件:1.1 Solvents: Diethyl Ether2.1 Reagents: Water Catalysts: Sulfuric Acid
  标题:Reaction Of Haloacetylenephosphonates With Nucleophilic Anions
  作者:Garibina,V. A.; Et Al
  参考文献:Zhurnal Obshchei Khimii 日期:1985 卷标:55(9) 页码:1994-2006

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  2912110000-甲醛
  2912120000-乙醛
  2915110000-甲酸
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