CAS: 94050-90-5; (R)-2-(4-Hydroxyphenoxy)Propanoic Acid

• 英文名称(R)-2-(4-Hydroxyphenoxy)Propanoic Acid
• 中文名称(R)-(+)-2-(4-羟苯氧基)丙酸
• IUPAC名称(R)-2-(4-hydroxyphenoxy)propanoic acid
• 其它别名2-(4-羟基苯氧基)D(+)丙酸; R-2-(4-Hydroxyphenoxy)Propanoic Acid
• CAS编号94050-90-5
• MFCD编号:MFCD00274088
• EINECS号:407-960-3
• FDA UNII编号:WSI8A5QG10
• 分子式:C9H10O4
• 分子量:182.18
• 产品CID: 1986370
• 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: AQIHDXGKQHFBNW-ZCFIWIBFSA-N
• InChI=1S/C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6,10H,1H3,(H,11,12)/t6-/m0/s1…
• 计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数3.0

物理性质

• 熔点145-148°C
• 沸点367.5±17.0 °C at 760 mmHg
• 闪点151.3±14.4 °C
• 密度1.3±0.1 g/cm3
• PH:58 º (c=1, MeOH)
• pKa:3.32±0.10(预测)
• PSA:66.76
• LogP:1.2441
• 旋光度58º(C=1,MEOH)
• 折射率1.566
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 敏感性常温常压下稳定，避免与酸，碱接触。
• 外观形态类白色固体
• 储存条件惰性气氛,室温
• 产品应用该化合物用于除草剂,在稻田中消灭草.

MSDS等安全信息

• GHS象形图
• GHS符号GHS05;
  注释: Corrosion
• 危险类别严重眼损伤 类别1
• 警示词Danger(危险)
• 危险描述H318 |造成严重眼损伤.
• 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8
• UN编号3259.0
• 危险品标志Xi
• 包装等级Ⅲ
• 安全声明26-39
• 危险类别码41
• WGK Germany1

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 (R)-(+)-2-(4-Hydroxyphenoxy)Propionic Acid 主要起始原料 Methyl (R)-(+)-2-(4-Hydroxyphenoxy)Propanoate
• 256412-89-2 = 94050-90-5 + 70217-01-5 + 61110-50-7 + 59-49-4 + 19932-84-4 + 256412-88-1 + 1257227-64-7 + 1257227-65-8 + 95617-09-7 + 1978-38-7
  反应条件:1.1 Solvents: Acetonitrile,Water; 4 H
  标题:Photodegradation Pathways And Mechanisms Of The Herbicide Metamifop In A Water/acetonitrile Solution
  作者:Moon,Joon-Kwan; Kim,Jeong-Han; Shibamoto,Takayuki
  参考文献:Journal Of Agricultural And Food Chemistry 日期:2010 卷标:58(23) 页码:12357-12365]
  
  1129-46-0 = 94050-90-5
  反应条件:1.1 Catalysts: Aspergillus Niger
  标题:Microbial Manufacture Of 2-(4-Hydroxyphenoxy)Propionic Acid
  参考文献:World Intellectual Property Organization]
  
  29617-66-1 = 94050-90-5
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Polyethylene Glycol Solvents: Water; 3 H,60 °C; 60 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Synthesis And Characterization Of Herbicide Chodinafop-Propargyl
  作者:Tan,Chengxia; Du,Yihui; Li,Jilie; Wang,Xuesheng; Chen,Guanghai
  参考文献:Nongyao 日期:2008 卷标:47(9) 页码:650-652]
  
  96562-58-2 = 94050-90-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 5 H,40 °C
  标题:Herbicide Composition Containing Metamifop And Quinclorac
  参考文献:China]
  
  29617-66-1 = 94050-90-5
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrabutylammonium Iodide Solvents: Dimethylformamide,Water; 5 H,Rt -> 70 °C; 70 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3,Rt
  标题:Preparation Clodinafop-Propargyl
  参考文献:China]
  
  = 94050-90-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 2 H,25 - 30 °C
  标题:Process For The Preparation Of Optical Pure (R)-2-Phenoxypropionic Acid Derivatives
  参考文献:World Intellectual Property Organization]
  
  71301-98-9 = 94050-90-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Benzene,Water; Rt; 3 H,40 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 3 H,Ph 1,Cooled
  标题:Synthesis Of (+)-R-2-(4-Hydroxyphenoxy)Propionic Acid
  参考文献:China]
  
  96562-58-2 = 94050-90-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; Rt; 3 H,Rt; Ph 2 - 3,Rt
  标题:Synthesis And Herbicidal Activity Of Chiral Aryloxyphenoxypropionic Amides Compounds
  作者:Yang,Sen; Ding,Chengrong; Liu,Xinghai; Weng,Jianquan; Yuan,Jing; Et Al
  参考文献:Youji Huaxue 日期:2019 卷标:39(12) 页码:3588-3593]
  
  1129-46-0 = 94050-90-5
  反应条件:1.1 Reagents: L-Ascorbic Acid,Hydrogen Peroxide Catalysts: Triacylglycerol Lipase Solvents: Water; 30 S,Ph 7,23 °C
  标题:Preparation Of 2-(4-Hydroxyphenoxy)Propionic Acid
  参考文献:Germany]
  
  96562-58-2 = 94050-90-5
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water
  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]
  
  = 94050-90-5
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Water; 15 Min,20 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 20 °C
  标题:Preparation Of (R)-(+)-2-(4-Hydroxyphenoxy)Propionic Acid In A Micro-Structure Reactor
  参考文献:China]
  
  79-33-4 = 94050-90-5
  反应条件:1.1 Reagents: Aniline; 4 - 6 H,50 - 70 °C1.2 30 Min,Ph 8,Rt
  标题:Method For Preparation Of R-(+)-2-(4-Hydroxyphenoxy)Propionic Acid
  参考文献:China]
  
  71301-98-9 = 94050-90-5
  反应条件:1.1 Reagents: Sodium Hydroxide; 5 H,40 °C
  标题:Herbicide Composition Containing Metamifop And Quinclorac
  参考文献:China]
  
  2260667-71-6 = 94050-90-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethyl Acetate,Water; Ph 9,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1,Cooled; 2 H,Cooled
  标题:Preparation Of (R)-(+)-2-Para-Hydroxylphenoxyl Propionic Acid
  参考文献:China]
  
  1380607-41-9 = 94050-90-5
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water; 40 °C -> 45 °C; 3 - 4 H,45 °C; 45 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; < Ph 1,Rt
  标题:Method For Preparing R-(+)-2-(4-Hydroxyphenoxy)Propionic Acid Using P-Hydroxybenzaldehyde
  参考文献:China]
  
  = 94050-90-5
  反应条件:1.1 Reagents: Sodium Nitrite,Sulfuric Acid Solvents: Water; 5 °C; 2.5 H,5 °C -> 50 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1.5
  标题:Method For Producing R-(+)-2-(4-Hydroxyphenoxy)Propionic Acid Using P-Nitrophenol
  参考文献:China]
  
  96562-58-2 = 94050-90-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; Rt; 3 H,Rt1.2 Ph 2 - 3,Rt
  标题:Method For Synthesizing Key Intermediate Of Herbicide Clodinafop-Propargyl (R)-2-(4-Hydroxyphenoxy)Propanoic Acid
  参考文献:China]
  
  73246-45-4 = 94050-90-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methyl Isobutyl Ketone; 1 H,45 - 48 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 7,40 °C; Ph 1 - 2,40 °C; 1 H,5 - 10 °C
  标题:Preparation Of (R)-(+)-2-(4-Hydroxyphenoxy) Propionic Acid
  参考文献:China]
  
  29617-66-1 = 94050-90-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; Rt; 3 H,72 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 61.3 Ph 1
  标题:Optimization Of The Use Of A Chiral Bio-Based Building Block For The Manufacture Of Dhppa,A Key Intermediate For Propionate Herbicides
  作者:Fleer,Michel P. M.; Verkuijl,Bastiaan J. V.
  参考文献:Green Chemistry 日期:2014 卷标:16(8) 页码:3993-3998]
  
  1912-23-8 = 94050-90-5
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Tungstate(3-),Tetracosa-μ-Oxododecaoxo[μ12-[phosphato(3-)-Ko:Ko:Ko:Ko′:Ko′:Ko′:...; Rt -> 90 °C
  标题:Preparation Of (R)-2-(4-Hydroxyphenoxy) Propionic Acid
  参考文献:China]
  
  70110-24-6 = 94050-90-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 25 °C1.2 30 °C1.3 Reagents: Water; 52 °C
  标题:Synthetic Method Of (R)-(+)-2-(4-Hydroxyphenoxy) Propionic Acid (Dhppa) With High Quality As Pesticide Intermediate
  参考文献:China

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

专利信息

其他信息查阅

• ➥ 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