CAS: 85118-25-8; 5-Carbamoylphthalide

该化合物是一种化学化合物,具有独特的双环结构,包括一个被引信的苯丙胺酸盐,该化合物通常具有与氨化物和芳香系统有关的特性,有助于其潜在的回活动性和稳定性;在室温下可能是固体,有机溶剂中具有中等溶解性,因其具有疏水芳香成分;碳基和氨化功能组的存在表明,它可能参与氢联结,影响其物理和化学行为;该化合物还可能展示生物活动,使其对医药化学和药物开发具有兴趣;然而,有关其毒性,环境影响和应用的具体细节需要进一步研究和分析;

英文名称5-Carbamoylphthalide
中文名称5-氨基甲酰苯酞
IUPAC名称1-oxo-1,3-dihydroisobenzofuran-5-carboxamide
其它别名1,3-Dihydro-1-Oxoisobenzofuran-5-Carboxamide; 1,3-Dihydro-1-Oxo-5-Isobenzofurancarboxamide; 1-Oxo-1,3-Dihydroisobenzofuran-5-Carboxamide; 5-Carbamoylphthalide; Escitalopram Impurity L; Citalopram Impurity M; Escitalopram Impurity 12
CAS编号85118-25-8
MFCD编号:MFCD15144188
EINECS号:285-678-8
FDA UNII编号:G8F2LFZ99M
分子式:C9H7NO3
分子量:177.16
产品CID: 1844930
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
InChIKey: VOWKISVRIBSFMO-UHFFFAOYSA-N
InChI=1S/C9H7NO3/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H2,10,11)…
计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

相似化合物

82104-74-3 452978-42-6 4792-29-4

MSDS等安全信息

警示词warning
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

合成工艺路线路线简述

合成目标产物 1,3-Dihydro-1-Oxoisobenzofuran-5-Carboxamide 主要起始原料 5-Cyanophthalide
82104-74-3 = 85118-25-8
反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol,Water; 1.5 H,80 °C
标题:Transition Metal-Free Sodium Borohydride-Promoted Controlled Hydration Of Nitriles To Amides
作者:Verma,Praveen Kumar; Kumar,Neeraj; Sharma,Upendra; Bala,Manju; Kumar,Vishal; Et Al
参考文献:Synthetic Communications 日期:2013 卷标:43(21) 页码:2867-2875]

227954-90-7 = 85118-25-8
反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Tetrahydrofuran,Water; 30 Min,Cooled
标题:Synthesis Of 5-(Chlorocarbonyl)Phthalide
作者:Wang,Jingwei; Sun,Li
参考文献:Heilongjiang Yiyao 日期:2009 卷标:22(4) 页码:499-500]

64169-34-2 + 82102-37-2 = 85118-25-8
反应条件:1.1 Reagents: Diisopropylethylamine Catalysts: Bis(Dibenzylideneacetone)Palladium,Tri-Tert-Butylphosphonium Tetrafluoroborate Solvents: 1,4-Dioxane; 20 H,100 °C1.2 Reagents: Sodium Bicarbonate,Ammonium Carbamate Catalysts: Bis(Dibenzylideneacetone)Palladium,(2R)-1-[(1R)-1-[bis(1,1-Dimethylethyl)Phosphino]Ethyl]-2-(Diphenylphosphino)Ferr... Solvents: 1,4-Dioxane; 20 H,100 °C
标题:Palladium-Catalyzed Approach To Primary Amides Using Nongaseous Precursors
作者:Nielsen,Dennis U.; Taaning,Rolf H.; Lindhardt,Anders T.; Gogsig,Thomas M.; Skrydstrup,Troels
参考文献:Organic Letters 日期:2011 卷标:13(16) 页码:4454-4457

1,3-二氢-1-氧代异苯并呋喃-5-羧酸乙酯以甲醇,氨作为反应溶剂,化学反应生成艾司西酞普兰杂质
参考文献:Method For The Preparation Of 5-Cyanophthalide
标题:Method For The Preparation Of 5-Cyanophthalide
摘要:本发明提供一种制备5-氰基邻苯二甲酸酐的方法,其中5-羧基邻苯二甲酸酐被转化为相应的式(iv)中r为氢或c1-6烷基的酰胺,然后与脱水剂反应,从而得到5-氰基邻苯二甲酸酐.将5-羧基邻苯二甲酸酐转化为相应的式(iv)的酰胺可以通过相应的c1-6烷基或苯基酯或酸氯化物进行,然后通过与氨或c1-6烷基胺进行酰胺化反应得到式(iv)的酰胺.通过这种方法,可以方便,经济地高产率制备用于抗抑郁药西酞普兰制备的重要中间体5-氰基邻苯二甲酸酐.

海关参考信息

2906210000-苄醇
2912110000-甲醛
2912210000-苯甲醛
2915110000-甲酸
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专利信息

专利号:US-2011137038-A1
优先权日:2006-11-09
标题 :Synthesis of selected stereoisomers of certain substituted alcohols
发明人：HARMS ARTHUR E
权利人:HARMS ARTHUR E
摘要:A process for producing one selected stereoisomer of a substituted alcohol comprises reacting a stereoisomeric epoxide with an amine, a carboxylic acid, an amide, a sulfonyl, or a cyanide. The process avoids the production of a racemic mixture of stereoisomers of the prior art. Such a stereoisomeric substituted alcohol can be used for anti-inflammatory therapy.

专利号:AU-2007319590-A1
优先权日:2006-11-09
标题 :Synthesis of selected stereoisomers of certain substituted alcohols

专利号:US-2008114172-A1
优先权日:2006-11-09
标题 :Synthesis of Selected Stereoisomers of Certain Substituted Alcohols

专利号:EP-2086921-A2
优先权日:2006-11-09
标题:Synthesis of selected stereoisomers of certain substituted alcohols

专利号:CA-2666685-A1
优先权日:2006-11-09
标题:Synthesis of selected stereoisomers of certain substituted alcohols

专利号:WO-2008060799-A2
优先权日:2006-11-09
标题:Synthesis of selected stereoisomers of certain substituted alcohols