CAS: 82003-90-5; (S,E)-2-(4,8-Dimethylnona-3,7-Dien-1-yl)-5-Hydroxy-2,7-Dimethyl-2H-Chromene-6-Carboxylic Acid

• 英文名称(S,E)-2-(4,8-Dimethylnona-3,7-Dien-1-yl)-5-Hydroxy-2,7-Dimethyl-2H-Chromene-6-Carboxylic Acid
• 中文名称(2S)-2-[(3E)-4,8-二甲基-3,7-壬二烯-1-基]-5-羟基-2,7-二甲基-2H-1-苯并吡喃-6-羧酸
• IUPAC名称(S,E)-2-(4,8-dimethylnona-3,7-dien-1-yl)-5-hydroxy-2,7-dimethyl-2H-chromene-6-carboxylic acid
• 其它别名Daurichromenic Acid; (2S)-2-[(3E)-4,8-Dimethyl-3,7-Nonadien-1-Yl]-5-Hydroxy-2,7-Dimethyl-2H-1-Benzopyran-6-Carboxylic Acid; 2H-1-Benzopyran-6-Carboxylic Acid, 2-[(3E)-4,8-Dimethyl-3,7-Nonadien-1-Yl]-5-Hydroxy-2,7-Dimethyl-, (2S)-
• CAS编号82003-90-5
• MFCD编号:MFCD20274763
• 分子式:C23H30O4分子量:370.49
• 产品CID: 1811886
• 产品分类天然产物 → 酚类

• 相似结构搜索
• 产品信息参考;
• InChIKey: UYLFTJMQPWWDCW-MVLVPLOLSA-N
• InChI=1S/C23H30O4/c1-15(2)8-6-9-16(3)10-7-12-23(5)13-11-18-19(27-23)14-17(4)20(21(18)24)22(25)26/h8,10-11,13-14,24H,6-7,9,12H2,1-5H3,(H,25,26)/b16-10+/t23-/m0/s1
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数7.0

物理性质

• 沸点503.7±50.0 °C at 760 mmHg
• 闪点167.1±23.6 °C
• 密度1.1±0.1 g/cm3
• pKa:3.05±0.40(预测)
• PSA:66.76
• LogP:9.2
• 折射率1.554
• 蒸汽压0.0±1.4 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件室温

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P280-P301+P312-P302+P352-P305+P351+P338-
• 安全声明H303+H313+H333

上下游产品

合成工艺路线路线简述

• 80557-12-6 = 82003-90-5
  反应条件:1.1 Catalysts: Terpene Synthase
  标题:Combinatorial Biosynthesis Of (+)-Daurichromenic Acid And Its Halogenated Analogue
  作者:Okada,Masahiro; Saito,Kai; Wong,Chin Piow; Li,Chang; Wang,Dongmei; Et Al
  参考文献:Organic Letters 日期:2017 卷标:19(12) 页码:3183-3186]
  
  1220893-86-6 = 82003-90-5
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -30 °C; 1.5 H,-30 °C -> -15 °C1.2 3 H,-70 °C -> -50 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 7
  标题:Enantioselective Synthesis Of Daurichromenic Acid And Confluentin
  作者:Liu,Kegang; Woggon,Wolf-D.
  参考文献:European Journal Of Organic Chemistry 日期:2010 卷标:(6) 页码:1033-1036]
  
  80557-12-6 = 82003-90-5 + 870456-90-9
  反应条件:1.1 Reagents: 2,3-Dichloro-5,6-Dicyano-1,4-Benzoquinone Solvents: Benzene; 30 Min,90 °C
  标题:Isolation,Synthesis And Biological Activity Of Grifolic Acid Derivatives From The Inedible Mushroom Albatrellus Dispansus
  作者:Hashimoto,Toshihiro; Quang,Dang Ngoc; Nukada,Makiko; Asakawa,Yoshinori
  参考文献:Heterocycles 日期:2005 卷标:65(10) 页码:2431-2439

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902500000-苯乙烯
  2905122000-异丙醇
• 💡 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

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