CAS: 970-73-0; (2R,3S)-2-(3,4,5-Trihydroxyphenyl)Chromane-3,5,7-Triol

• 英文名称(2R,3S)-2-(3,4,5-Trihydroxyphenyl)Chromane-3,5,7-Triol
• 中文名称儿茶素
• IUPAC名称(2R,3S)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol
• 其它别名2H-1-Benzopyran-3,5,7-triol,3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-; Gall°Catechol (8CI); Gall°Catechol, d- (6CI); (+)-Gall°Catechin; (+)-Gall°Catechol; Gall°Catechin; d-Gall°Catechin
• CAS编号970-73-0
• MFCD编号:MFCD06798946
• 分子式:C15H14O7分子量:306.27
• 产品CID: 2019944
• 同类组份化合物CAS970-73-0 (2R3S)3371-27-5 (2S3R)
• 产品分类生物化工 → 中草药成分

• 相似结构搜索
• 产品信息参考
• InChIKey: XMOCLSLCDHWDHP-SWLSCSKDSA-N
• InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1
• 计算化学: 氢键受体数7.0氢键供体数6.0可旋转键数1.0

物理性质

• 熔点218 °C(溶剂: water (7732-18-5))
• 沸点685.6±55.0 °C at 760 mmHg
• 闪点368.5±31.5 °C
• 密度1.7±0.1 g/cm3
• pKa:9.02±0.15(预测)
• PSA:130.61
• LogP:-0.1
• 折射率1.776
• 蒸汽压0.0±2.2 mmHg at 25°C
• 溶解性DMSO (Slightly, Sonicated), Ethanol (Slightly, Sonicated), Methanol (Slightly)
• 外观形态白色至浅棕色固体
• 储存条件防潮, -20°C 冰箱, 在惰性气其中
• 产品应用该化合物用作内容确定,识别和药理实验.

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 防范说明P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
• 安全声明H303+H313+H333

上下游产品

合成工艺路线路线简述

• 27200-12-0 = 970-73-0
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol; 10 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3
  标题:Method For Semi-Synthesis Of (+)-Gallocatechin From Dihydromyricetin
  参考文献:China]
  
  = 970-73-0 [标题:Reaction Conditions
  标题:Preparation Of Polyphenols For Use As Anticancer Agents
  参考文献:United States]
  
  1449477-37-5 = 970-73-0
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 0.5 H,-78 °C; 2 H,Rt
  标题:Enantioselective Total Syntheses Of (+)-Gallocatechin,(-)-Epigallocatechin,And (-)-8-C-Ascorbylepigallocatechin
  作者:Lin,Guang; Chang,Le; Liu,Yongxiang; Xiang,Zheng; Chen,Jiahua; Et Al
  参考文献:Chemistry - An Asian Journal 日期:2013 卷标:8(4) 页码:700-704]
  
  491-52-1 = 970-73-0
  反应条件:1.1 Rt
  标题:Leucoanthocyanidin Reductase And Its Encoding Gene From Desmodium Uncinatum And Its Uses In Modifying The Pasture Qualities Of Crops
  参考文献:World Intellectual Property Organization]
  
  = 970-73-0 [标题:Reaction Conditions
  标题:Gallocatechin Derivatives,Their Preparation,Compositions And Methods For Antioxidant And Anti-Inflammatory Therapeutics
  参考文献:World Intellectual Property Organization]
  
  = 970-73-0 [标题:Reaction Conditions
  标题:Process For Preparation Of High-Purity Gallocatechin (Gc)
  参考文献:China]
  
  = 970-73-0 [标题:Reaction Conditions
  标题:Proanthocyanidin From Persimmon Fruits
  作者:Chen,Fa-Ching; Reese,Elwyn T.
  参考文献:Journal Of The Chinese Chemical Society (Peking) 日期:1967 卷标:14(1) 页码:41-4]
  
  154-23-4 = 970-73-0 + 554453-34-8
  反应条件:1.1 Reagents: Lithium Perchlorate Catalysts: Water Solvents: Nitromethane
  标题:Electrochemical Hydroxylation Of Flavonoids
  作者:Zhurinov,M. Zh.; Narymbaeva,Z. K.; Nadirov,K. S.; Esimova,A. M.
  参考文献:Khabarshysy Kazakstan Respublikasy Bilim Zhane Gylym Ministrligi 日期:2002 卷标:(2002) 页码:20-23

海关参考信息

• 2902600000-乙苯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 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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