CAS: 3453-63-2; 3-Methyleneisobenzofuran-1(3H)-One

该化合物是一个多用途的七环化合物,其特点是其引信外生素结构,作为有机合成中有价值的中间体.其反应性甲基组和内酯功能能够参与循环添加反应,迈克尔添加和其他变异,从而有利于构建复杂的分子框架.该化合物在受控条件下的稳定性和与各种试剂的兼容性增强了其在制药和材料化学中的效用.其结构特征也有助于生物活性分子和功能聚合物的合成.建议由于对水和氧的潜在敏感性,在惰性大气中进行适当处理.

英文名称3-Methyleneisobenzofuran-1(3H)-One
中文名称3-亚甲基异苯并呋喃-1(3H)-酮
IUPAC名称3-methyleneisobenzofuran-1(3H)-one
其它别名3-Methyleneisobenzofuran-1(3H)-One; 3-Butylphthalide Impurity 2; Butyphthalide Impurity4; 1(3H)-Isobenzofuranone, 3-Methylene-
CAS编号3453-63-2
MFCD编号:MFCD18450791
FDA UNII编号:TKJ5LPB8TN
分子式:C9H6O2分子量:146.15
产品CID: 1349016
产品分类有机原料→分子砌块→芳杂环类化合物→苯并呋喃类化合物

相似结构搜索
产品信息参考
InChIKey: IWTLIIZTPVRRFW-UHFFFAOYSA-N
InChI=1S/C9H6O2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h2-5H,1H2
计算化学: 氢键受体数2.0氢键供体数*可旋转键数*

相似化合物

94704-89-9 551-08-6 4767-63-9

MSDS等安全信息

上下游产品

phthalidyliden-acetic acid ethene benzoic acid (S)-1-(2-(4-methylphenylsulfonamido)phenyl)-2-propanyl 2-ethynylbenzoate 2-acetyl-benzoic acid -3-one3'-(4-chlorophenyl)spiro-3-one -3-one3'-(2,4-dichlorophenyl)spiro-3-one -3-one3'-(perfluorophenyl)spiro-3-one

合成工艺路线路线简述

📜乙酸苯酯置于aluminum (III) Chloride,2,6-二叔丁基-4-甲基吡啶,1,3-双(二苯基膦)丙烷,Palladium Diacetate,三乙胺体系中,用二氯甲烷,N,N-二甲基甲酰胺用作溶剂,化学反应 17.0H,反应生成3-亚甲基异苯并呋喃-1(3H)-酮
参考文献:3-Ylidenephthalides As A New Class Of Transient Receptor Potential Channel Trpa1 And Trpm8 Modulators
标题:3-Ylidenephthalides As A New Class Of Transient Receptor Potential Channel Trpa1 And Trpm8 Modulators
摘要:Following The Recent Identification Of The Naturally occurring 3-Ylidene-4,5-Dihydrophthalide Ligustilide And Its Oxidation Product Dehydroligustilide As Novel Trpa1 Modulators,A Series Of Seventeen 3-Ylide-Nephthalides Was Synthesized And Tested On Trpa1 And Trpm8 Channels. Most Of These Compounds Acted As Strong Modulators Of The Two Channel Types With Ec50 And/or Ic50 Values Distinctly Lower Than Those Of The Reference Compounds. (C) 2013 Elsevier Ltd. All Rights Reserved.
Doi:10.1016/j.Bmcl.2013.08.039

海关参考信息

2901210000-乙烯
2902500000-苯乙烯
2906210000-苄醇
2912110000-甲醛
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:HU-E027338-T2
优先权日:2003-09-15
标题:Synthesis and preparation of pentostatin and its precursors, analogues and derivatives

专利号:CN-111018818-A
优先权日:2019-12-16
标题 :Chiral phthalide compound and synthesis method of deuterated compound thereof