CAS: 89238-99-3; 4-Methoxybenzyl 2,2,2-Trichloroacetimidate

• 英文名称4-Methoxybenzyl 2,2,2-Trichloroacetimidate
• 中文名称2,2,2-三氯亚氨逐乙酸-4-甲氧基苄酯
• IUPAC名称4-methoxybenzyl 2,2,2-trichloroacetimidate
• 其它别名(4-Methoxyphenyl)Methyl 2,2,2-Trichloroethanimidate ; 2,2,2-Trichloro-Acetimidic Acid 4-Methoxybenzyl Ester ; 2,2,2-Trichloro-Acetimidic Acid 4-Methoxy-Benzyl Ester ; 2,2,2-Trichloroacetimidic Acid 4-Methoxybenzyl Ester ; 4-Methoxybenzyl 2,2,2-Trichloroac
• CAS编号89238-99-3
• MFCD编号:MFCD00134547
• EINECS号:677-564-5
• 分子式:C10H10Cl3NO2
• 分子量:282.55
• 产品CID: 1913624
• 产品分类分析化学 → 分析试剂 → 衍生化试剂

• 相似结构搜索
• InChIKey: TYHGKLBJBHACOI-ZROIWOOFSA-N
• InChI=1S/C10H10Cl3NO2/c1-15-8-4-2-7(3-5-8)6-16-9(14)10(11,12)13/h2-5,14H,6H2,1H3…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数4.0

物理性质

• 沸点348.1±0.0 °C at 760 mmHg
• 闪点133.5±30.1 °C
• 密度1.4±0.1 g/cm3
• pKa:1.96±0.70(预测)
• PSA:42.31
• LogP:3.43
• 折射率1.539
• 蒸汽压0.0±0.7 mmHg at 25°C
• 外观形态无色至淡黄色至浅橙色透明液体
• 储存条件2-8°C
• 产品应用该化合物用于保护酒精的试剂,作为P-METHOXY BENZYNEL醚. 1O, 2O, 和 3O酒精在各种不同的保护群体在场的情况下,使用这种试剂效率相等,很容易得到保护.这种试样通常在酸性条件下使用,因此它为威廉斯醚合成提供了替代方法,后者通常使用基本条件来保护对碱敏感的酒精.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS09;
  注释: Exclamation mark & Environment
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  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
  水生慢性毒性 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  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.
  H411 |对水生生物有毒并具有长期持续影响.
• 防范说明P273-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338
• UN编号UN 3082 9/PG 3
• 危险品标志Xn,N
• 安全声明26-61-36/37
• 危险类别码20/21/22-36/37/38-51/53
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 105-13-5 = 89238-99-3
  反应条件:1.1 Catalysts: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Solvents: Hexane; 15 Min,0 °C
  标题:A Simple Method For The Preparation Of Stainless And Highly Pure Trichloroacetimidates
  作者:Ikeuchi,Kazutada; Murasawa,Kentaro; Yamada,Hidetoshi
  参考文献:Synlett 日期:2019 卷标:30(11) 页码:1308-1312]
  
  105-13-5 = 89238-99-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran
  标题:Enantioselective Synthesis Of Polyoxygenated Cembrenes
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  参考文献:2008]
  
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  反应条件:1.1 Reagents: Sodium Hydride Solvents: Diethyl Ether; 30 Min,Rt; Rt -> 0 °C1.2 4 H,0 °C -> Rt
  标题:First Synthesis Of 2'-Oxabicyclo[3.1.0]Hexyl Nucleosides With A North Conformation
  作者:Kim,Won Hee; Park,Ah-Young; Kang,Jin-Ah; Kim,Jungsu; Kim,Jin-Ah; Et Al
  参考文献:Tetrahedron 日期:2010 卷标:66(9) 页码:1706-1715]
  
  105-13-5 = 89238-99-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Diethyl Ether; 30 Min,Rt; Rt -> 0 °C1.2 0 °C; 0 °C -> Rt; 4 H,Rt
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  参考文献:Organic Letters 日期:2018 卷标:20(11) 页码:3305-3309]
  
  105-13-5 = 89238-99-3
  反应条件:1.1 Reagents: Potassium Hydroxide,Tetrabutylammonium Hydrogen Sulfate Solvents: Dichloromethane,Water
  标题:Total Synthesis Of Auripyrone A And Related Metabolites
  作者:Lister,Troy
  参考文献:2006]
  
  105-13-5 = 89238-99-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran
  标题:Viridiofungins And Xeniolide F: Target Oriented Synthesis Using Different Rearrangement Reactions Of A Common Substrate Class
  作者:Pollex,Annett
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  105-13-5 = 89238-99-3
  反应条件:1.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Solvents: Trichloroacetonitrile; 0 °C; 5 H,0 °C -> Rt
  标题:Use Of A Catalytic Chiral Leaving Group For Asymmetric Substitutions At Sp3-Hybridized Carbon Atoms: Kinetic Resolution Of β-Amino Alcohols By P-Methoxybenzylation
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  参考文献:Angewandte Chemie 日期:2016 卷标:55(42) 页码:13137-13141]
  
  105-13-5 = 89238-99-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Diethyl Ether; 5 Min,Rt; Rt -> 0 °C1.2 0 °C; 0 °C -> Rt; 20 Min,Rt1.3 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Electrochemical Deprotection Of Para-Methoxybenzyl Ethers In A Flow Electrolysis Cell
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  105-13-5 = 89238-99-3
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  105-13-5 = 89238-99-3
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  参考文献:Chemistry - An Asian Journal 日期:2011 卷标:6(2) 页码:560-572]
  
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  反应条件:1.1 Reagents: Sodium Hydride Solvents: Diethyl Ether; 30 Min,20 °C; 1 H,20 °C1.2 10 Min,0 °C; 1.5 H,0 °C
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  参考文献:Chemistry - A European Journal 日期:2008 卷标:14(35) 页码:11092-11112]
  
  105-13-5 = 89238-99-3
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Tetrabutylammonium Hydrogen Sulfate Solvents: Dichloromethane,Water; 30 Min,0 °C; 0 °C -> Rt; 24 H,Rt
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  反应条件:1.1 Reagents: Sodium Hydride Solvents: Diethyl Ether; 30 Min,Rt; 0 °C; 0 °C -> Rt; 2 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Neutralized,Rt
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海关参考信息

• 2902300000-甲苯
  2903130000-三氯甲烷
  2905590020-2-氯乙醇
  2906210000-苄醇
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