CAS: 98751-79-2; (3R,3Ar,6S,7Ar)-6-Hydroxy-3,6-Dimethyltetrahydrobenzofuran-2,5(3H,4H)-Dione

该化合物是一种与Paenonia物种分离的生物活性单体细胞球体,其潜在药理特性明显得到承认.其结构特征是内酯环和玻璃球球球,在体外和体外研究的支持下,它具有显著的抗炎和...

英文名称(3R,3Ar,6S,7Ar)-6-Hydroxy-3,6-Dimethyltetrahydrobenzofuran-2,5(3H,4H)-Dione
中文名称芍药内苷 A; (3R,3aR,6S,7aR)-四氢-6-羟基-3,6-二甲基-2,5(3H,4H)-苯并呋喃二酮
IUPAC名称(3R,3aR,6S,7aR)-6-hydroxy-3,6-dimethyltetrahydrobenzofuran-2,5(3H,4H)-dione
其它别名Paeonilactone A; (-)-Paeonilactone; [3R,3Aα,7Aα,(-)]-3A,6,7,7A-Tetrahydro-6β-Hydroxy-3α,6-Dimethylbenzofuran-2,5(3H,4H)-Dione; (3R,3Ar,6S,7Ar)-Tetrahydro-6-Hydroxy-3,6-Dimethyl-2,5(3H,4H)-Benzofurandione; 2,5(3H,4H)-Benzofurandione, Tetrahydro-6-Hydroxy-3,6-Dimethyl-, (3R,3Ar,6S,7Ar)-
CAS编号98751-79-2
MFCD编号:MFCD26406114
FDA UNII编号:LQV4N956WD
分子式:C10H14O4分子量:198.22
产品CID: 2027750
产品分类天然产物 → 萜类

相似结构搜索
产品信息参考;;
InChIKey: NODZICYHUGDVAM-IBNKKVAHSA-N
InChI=1S/C10H14O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h5-7,13H,3-4H2,1-2H3/t5-,6-,7-,10+/m1/s1
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数0.0

MSDS等安全信息

危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

上下游产品

(3S,3aS,5S,6R,7aS)-5,6-Dihydroxy-3,6-dimethyl-hexahydro-benzofuran-2-one acetic acid2-(1RS)-4-methylcyclohex-3-enylacetic acid (1R,5R)-8-Methyl-2-oxa-bicyclo[3.3.1]non-7-en-3-one ((1S,5S)-5-Hydroxy-4-methyl-cyclohex-3-enyl)-acetic acid methyl ester

合成工艺路线路线简述

合成目标产物 Paeonilactone A 主要起始原料 (1R-Cis)-2-Methyl-5-(1-Methylvinyl)Cyclohex-2-En-1-Yl Acetate
(文献来源)合成步骤主要原料 (1R-Cis)-2-Methyl-5-(1-Methylvinyl)Cyclohex-2-En-1-Yl Acetate

📜(-)-香芹酚置于chromium(Vi) Oxide,Sodium Hydroxide,9-Borabicyclo[3.3.1]Nonane Dimer,Amberlyst-15,草酰氯,偶氮二异丁腈,硫酸,双氧水,碘,三正丁基氢锡,Sodium Trimethoxyborohydride,乙酸酐,Tbuocro3H,Potassium Carbonate,二甲基亚砜,三乙胺体系中,用吡啶,甲醇,四氯化碳,乙醚,水,溶剂黄146,丙酮,苯作为反应溶剂,化学反应 20.0H,反应生成芍药内苷 A; (3R,3Ar,6S,7Ar)-四氢-6-羟基-3,6-二甲基-2,5(3H,4H)-苯并呋喃二酮
参考文献:Efficient Synthesis Of Paeonilactone-A And-B From (-)-Carvone.
标题:Efficient Synthesis Of Paeonilactone-A And-B From (-)-Carvone.
摘要:首次从(-)-香芹酮出发,高效完成了芍药根中的微量成分--芍药内酯a与b的合成.
DOI:10.1248/cpb.37.843

海关参考信息

2905122000-异丙醇
2905143000-叔丁醇
2905399001-1,3-丙二醇
2909110000-乙醚
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详情请参考：📖 海关编码查询和海关进出口税则

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合成参考文献

参考文献:10.1016/s0040-4039(00)89227-8
摘要:Hayashi T, Shinbo T, Shimizu M, Arisawa M, Morita N, Kimura M, Matsuda S, Kikuchi T. Paeonilactone-A, -B, and -C, new monoterpenoids from paeony root. Tetrahedron Letters. 1985;26(31):3699–702. doi: 10.1016/s0040-4039(00)89227-8.
参考文献:10.1016/j.fitote.2006.09.014
摘要:Wu SH, Chen YW, Yang LY, Li SL, Li ZY. Monoterpene glycosides from Paeonia delavayi. Fitoterapia. 2007 Jan;78(1):76–8. doi: 10.1016/j.fitote.2006.09.014.