CAS: 69978-82-1; Isocostic Acid

英文名称Isocostic Acid
中文名称异木香酸
IUPAC名称2-((2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl)acrylic acid
其它别名2-Naphthaleneacetic Acid, 1,2,3,4,4A,5,6,7-Octahydro-4A,8-Dimethyl-α-Methylene-, (2R,4Ar)-
CAS编号69978-82-1
MFCD编号:MFCD20260495
分子式:C15H22O2分子量:234.34
产品CID: 2504172
产品分类天然产物 → 倍半萜

相似结构搜索
InChIKey: SGZOYHLQNUSAIL-IUODEOHRSA-N
InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12H,2,4-9H2,1,3H3,(H,16,17)/t12-,15-/m1/s1
计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数2.0

物理性质

沸点374.0±11.0 °C at 760 mmHg
闪点273.7±10.2 °C
密度1.1±0.1 g/cm3
pKa:4.36±0.11(预测)
PSA:37.3
LogP:5.14
折射率1.524
蒸汽压0.0±1.8 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2-8°C，干燥环境，密闭

上下游产品

(13)-eudesmen-12-oic acid4-hydroxy-11(13)-eudesmen-12-oic acid (10),4,11(13)-trien-12-oic acidgermacra-1(10),4,11(13)-trien-12-oic acidmethyl 2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-°Ctahydronaphthalen-2-yl]acrylate

合成工艺路线路线简述

合成目标产物 Isocostic Acid 主要起始原料 (2R,8Aβ)-Decahydro-8β-Hydroxy-4Aα,8-Dimethyl-α-Methylene-2-Naphthaleneacetic Acid
(文献来源)合成步骤主要原料 (2R,8Aβ)-Decahydro-8β-Hydroxy-4Aα,8-Dimethyl-α-Methylene-2-Naphthaleneacetic Acid

📜4-Hydroxy-11(13)-Eudesmen-12-Oic Acid置于对甲苯磺酸体系中,用苯作为反应溶剂,化学反应 0.08H,以98 Mg的收率获得产物异木香酸
参考文献:Sesquiterpenes From Tessaria Absinthioides
标题:Sesquiterpenes From Tessaria Absinthioides
摘要:
DOI:10.1016/s0031-9422(96)00590-0