CAS: 95041-90-0; 2-Methoxy-5-(3,4,5-Trimethoxyphenethyl)Phenol

• 英文名称2-Methoxy-5-(3,4,5-Trimethoxyphenethyl)Phenol
• 中文名称2-甲氧基-5-[2-(3,4,5-三甲氧基苯基)乙基]苯酚
• IUPAC名称2-methoxy-5-(3,4,5-trimethoxyphenethyl)phenol
• 其它别名毛兰素
• CAS编号95041-90-0
• MFCD编号:MFCD06795132
• 分子式:C18H22O5
• 分子量:318.37
• 产品CID: 2002646
• 产品分类生物化工 → 提取物

• 相似结构搜索
• InChIKey: UXDFUVFNIAJEGM-UHFFFAOYSA-N
• InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3…
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数7.0

物理性质

• 沸点439.1±40.0 °C at 760 mmHg
• 闪点219.4±27.3 °C
• 密度1.1±0.1 g/cm3
• pKa:9.99±0.10(预测)
• PSA:57.15
• LogP:3.11
• 折射率1.554
• 蒸汽压0.0±1.1 mmHg at 25°C
• 溶解性DMSO:Pbs (Ph 7.2) (1:8):0.11(Max Conc. mg/mL);0.35(Max Conc. Mm) DMF:30.0(Max Conc. mg/mL);94.23(Max Conc. Mm) Ethanol:5.0(Max Conc. mg/mL);15.71(Max Conc. Mm)
• 外观形态白色至类白色结晶性固体
• 储存条件2-8°C
• 产品应用该化合物用作内容确定,识别和药理研究.

MSDS等安全信息

• 警示词Warning
• 危险描述H315-H319-H335-
• 防范说明P261-P305+P351+P338-
• 安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• WGK Germany3

上下游产品

合成工艺路线路线简述

• 合成目标产物 Phenol, 2-Methoxy-5-[2-(3,4,5-Trimethoxyphenyl)Ethyl]- 主要起始原料 3,4,5-Trimethoxybenzyl Alcohol
• 906512-10-5 = 95041-90-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol,Ethyl Acetate; 1 H,Rt
  标题:Preparation Of 2-Methoxy-5-[2-(3,4,5-Trimethoxyphenyl)Ethyl]-Phenol Hydrogensulfate Sodium Salt As Antitumor Agent
  参考文献:China]
  
  906512-10-5 = 95041-90-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol,Ethyl Acetate; 1 H,Rt
  标题:Process For Preparation Of Erianin
  参考文献:World Intellectual Property Organization]
  
  185698-55-9 = 95041-90-0
  反应条件:1.1 Reagents: Ethylenediamine,Hydrogen Catalysts: Palladium Solvents: Methanol; 1 H,Rt
  标题:New Efficient Synthesis Of Combretastatin A-4 Via Colvin Rearrangement
  作者:Petrov,Ognyan I.; Gerova,Mariana S.; Chanev,Christo D.; Petrova,Katya V.
  参考文献:Synthesis 日期:2011 卷标:(22) 页码:3711-3715]
  
  906512-10-5 = 95041-90-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum Solvents: Ethanol,Ethyl Acetate; 3 H,Rt
  标题:Preparation Of Erianin Phosphates And Sulfates As Antitumor Agents
  参考文献:World Intellectual Property Organization]
  
  1486498-28-5 + 2002382-11-6 = 95041-90-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol,Ethyl Acetate
  标题:Erianin,A Novel Dibenzyl Compound In Dendrobium Extract,Inhibits Bladder Cancer Cell Growth Via The Mitochondrial Apoptosis And Jnk Pathways
  作者:Zhu,Qiyu; Sheng,Yuwen; Li,Wenhua; Wang,Jing; Ma,Yulin; Et Al
  参考文献:Toxicology And Applied Pharmacology 日期:2019 卷标:371 页码:41-54]
  
  1486498-28-5 + 2002382-11-6 = 95041-90-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol,Ethyl Acetate; 2 H,Rt
  标题:Identification Of Pyruvate Carboxylase As The Cellular Target Of Natural Bibenzyls With Potent Anticancer Activity Against Hepatocellular Carcinoma Via Metabolic Reprogramming
  作者:Sheng,Yuwen; Chen,Yuwen; Zeng,Zhongqiu; Wu,Wenbi; Wang,Jing; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2022 卷标:65(1) 页码:460-484

海关参考信息

• 2902600000-乙苯
  2905110000-甲醇
  2907210001-间苯二酚
  2907221000-对苯二酚
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专利信息

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• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管