CAS: 96562-58-2; (R)-Methyl 2-(4-Hydroxyphenoxy)Propanoate

• 英文名称(R)-Methyl 2-(4-Hydroxyphenoxy)Propanoate
• 中文名称R-对羟基苯氧基丙酸甲酯
• IUPAC名称methyl (R)-2-(4-hydroxyphenoxy)propanoate
• 其它别名(R)-(+)-2-(4-羟苯氧基)丙酸甲酯; R-(+)-2-(4-Hydroxyphenoxy)Propionic Acid Methyl Ester
• CAS编号96562-58-2
• MFCD编号:MFCD00274087
• EINECS号:411-950-4
• 分子式:C10H12O4
• 分子量:196.2
• 产品CID: 2017956
• 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: UUYSCNGPNOYZMC-SSDOTTSWSA-N
• InChI=1S/C10H12O4/c1-7(10(12)13-2)14-9-5-3-8(11)4-6-9/h3-7,11H,1-2H3/t7-/m1/s1…
• 计算化学: 氢键受体数4.0氢键供体数1可旋转键数3

物理性质

• 熔点64-67 °C
• 沸点313.4±17.0 °C at 760 mmHg
• 闪点121.6±14.4 °C
• 密度1.2±0.1 g/cm3
• pKa:10.07±0.15(预测)
• PSA:55.76
• LogP:1.3325
• 折射率1.523
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性9320 In Mg/100G Standard Fat At 20 °c
• 敏感性常温常压下稳定，避免与强氧化剂接触。
• 外观形态白色至橙色至绿色粉末至晶体
• 储存条件惰性气氛,室温
• 产品应用该化合物用作该化合物用作药品中脱色和脱臭剂;还作为合成致塑剂,除草剂和杀虫剂的有机原料.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS05;
  注释: Health hazard & Corrosion
• 危险类别生殖毒性 类别2
  严重眼损伤 类别1
  水生慢性毒性 类别3
• 警示词Danger(危险)
• 危险描述H361d |怀疑对胎儿造成损害.
  H318 |造成严重眼损伤.
  H412 |对水生生物有害并具有长期持续影响.
• 防范说明P273-P280-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-39-61
• 危险类别码41-52/53
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 111842-06-9 = 96562-58-2
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol
  标题:Preparation Of (R)- And (S)-2-(4-Acylphenoxy)Propanoates By Friedel-Crafts Acylation Of (R)- Or (S)-2-Phenoxypropanoates.
  参考文献:World Intellectual Property Organization]
  
  73246-45-4 = 96562-58-2
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 25 °C1.2 25 °C
  标题:Process For The Preparation Of Methyl (R)-(+)-2-(4-Hydroxyphenoxy)Propionate
  参考文献:China]
  
  71283-66-4 = 96562-58-2
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol; 30 Min,Rt1.2 Solvents: Methanol; Rt; Rt -> 40 °C; 24 H,40 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:Synthesis And Crystal Structure Of R-(+)-2-(4-Hydroxyphenoxy)-Propionate Derivatives
  作者:Han,Cui-Ping; Sun,Jie; Huang,Tong-Hui
  参考文献:Huaxue Shiji 日期:2015 卷标:37(4) 页码:354-356]
  
  63696-98-0 = 96562-58-2
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 12 H,60 °C
  标题:Method For Preparing Compound
  参考文献:Korea]
  
  = 96562-58-2 [标题:Reaction Conditions
  标题:Preparation Of (D)-2-(4-Hydroxyphenoxy)Propionic Acid Esters
  参考文献:Japan]
  
  = 96562-58-2 [标题:Reaction Conditions
  标题:Preparation Of Optically Active α-(4-Hydroxyphenoxy)Propionate Esters As Intermediates For Herbicides
  参考文献:Japan]
  
  = 96562-58-2 [标题:Reaction Conditions
  标题:Optically Active 2-(4-Hydroxyphenoxy)Propionic Acid As Herbicide Intermediate
  参考文献:Japan]
  
  94050-90-5 = 96562-58-2
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol
  标题:Preparation Of 2-(4-Hydroxyphenoxy)Propionic Acid Esters
  参考文献:European Patent Organization]
  
  20047-41-0 = 96562-58-2
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 8 H,Rt -> 70 °C
  标题:Preparation Of High Efficiency Flufenoxapyr
  参考文献:China]
  
  94050-90-5 = 96562-58-2
  反应条件:1.1 Catalysts: Dimethyl Sulfate; 4 - 6 H,Reflux
  标题:Preparation Method Of (R)-(+)-Methyl 2-(4-Hydroxyphenoxy)Propanoate
  参考文献:China]
  
  2761874-79-5 = 96562-58-2
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 1.0 - 2.0 Mpa,Rt -> 55 °C; 6 H,45 - 55 °C
  标题:Method For Synthesizing R-(+)-2-(4-Hydroxyphenoxy) Methyl Propionate By Nucleophilic Addition Reaction
  参考文献:China]
  
  73246-45-4 = 96562-58-2
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 80 °C; 3 H,80 - 90 °C
  标题:Preparation Of Methyl (R)-(+)-2-(4-Hydroxyphenoxy) Propionate
  参考文献:China]
  
  94050-90-5 = 96562-58-2
  反应条件:1.1 Catalysts: Tetrachloropalladic Acid Solvents: Methanol,Toluene; 2 H,110 °C
  标题:Method For Preparing R-(+)-2-(4-Hydroxyphenoxy)Propionate
  参考文献:China]
  
  94050-90-5 = 96562-58-2
  反应条件:1.1 Solvents: Methanol; 65 °C; 5 H,65 °C
  标题:Asymmetrical Synthesis Of R-(+)-Methyl-2-(4-Hydroxyphenoxy)Propionate
  作者:Qin,Yonghua; Mo,Weimin; Sun,Nan; Wang,Wei
  参考文献:Nongyao 日期:2004 卷标:43(12) 页码:555-556]
  
  71283-66-4 = 96562-58-2
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol; 40 °C; 24 H,40 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified; 2 H,Reflux
  标题:Synthesis And Herbicidal Activity Of New Substituted 2- And 4-Pyrimidinyloxyphenoxypropionate Derivatives
  作者:Huang,Tong-Hui; Tu,Hai-Yang; Aibibu,Zumureti; Hou,Chang-Jian; Zhang,Ai-Dong
  参考文献:Arkivoc (Gainesville 日期:2011 卷标:(2) 页码:1-17]
  
  60075-04-9 = 96562-58-2
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Hydrolase Solvents: Dimethyl Sulfoxide,Water; 2 H,Ph 7,30 °C
  标题:Manufacture Of R-2-(4-Hydroxy Phenoxy)Propionate With Aspergillus Oryzae By Resolution
  参考文献:China]
  
  109579-04-6 = 96562-58-2
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 30 Min,60 - 70 °C1.2 Solvents: Dimethylformamide; 60 - 70 °C; 4 H,60 - 70 °C
  标题:Design And Synthesis Of Quinoxaline Derivatives And Their Antitumor Activities
  作者:Zhao,Cuihua; Chen,Yi; Ding,Jian; Duan,Wenhu
  参考文献:Yaoxue Xuebao 日期:2005 卷标:40(9) 页码:814-819]
  
  = 96562-58-2 [标题:Reaction Conditions
  标题:Preparation Of 3-Fluoro-5-Chloropyridinoxyphenoxypropionamide As Herbicides
  参考文献:China]
  
  = 96562-58-2 [标题:Reaction Conditions
  标题:Preparation Of Highly-Pure 2-(4-Hydroxyphenoxy)Propionate Esters As Intermediates For Herbicides
  参考文献:Japan]
  
  = 96562-58-2 [标题:Reaction Conditions
  标题:Process For The Preparation Of Optically Active 2-(4-Methoxyphenoxy)Propionic Acid
  参考文献:United States

海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2912110000-甲醛
• 💡 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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