CAS: 879-37-8; Indole-3-Acetamide

• 英文名称Indole-3-Acetamide
• 中文名称3-吲哚乙酰胺
• IUPAC名称2-(1H-indol-3-yl)acetamide
• 其它别名Inchi=1/c10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13); 2-(3-Indolyl)Acetamide; 3-Indoleacetamide; (1H-Indol-3-yl)Acetamide; C10H10N2O; Indole-3-Acetamide (8Ci
• CAS编号879-37-8
• MFCD编号:MFCD00005641
• EINECS号:212-904-4
• FDA UNII编号:O9SEW65XW3
• 分子式:C10H10N2O
• 分子量:174.2
• 产品CID: 1888422
• 产品分类生物化工 → 抑制剂

• 相似结构搜索
• InChIKey: ZOAMBXDOGPRZLP-UHFFFAOYSA-N
• InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)…
• 计算化学: 氢键受体数1.0氢键供体数2.0可旋转键数2.0

物理性质

• 熔点148-150  °C(文献)
• 沸点407.1±47.0 °C at 760 mmHg
• 闪点200.0±29.3 °C
• 密度1.3±0.1 g/cm3
• pKa:16.37±0.40(预测)
• PSA:58.88
• LogP:0.79
• 折射率1.650
• 蒸汽压0.0±1.0 mmHg at 25°C
• 溶解性DMSO (Slightly)
• 外观形态白色至类白色固体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用该化合物是主要植物,真菌和细菌助产素激素生物合成,异丙醇-3-乙酸(IAA)和植物性病菌的内生异同代物,它直接由植物中的异同物形成,通过单氧酶通过试同原体形成,或间接通过丁二醇-3----丙烯酸或异丙-3-子代氧中间体间接产生.1969年国家统计理事会的外源应用(20微米)增加了AMI1的表达方式,即基因编码介质1,即从1969年阿拉伯地区国家营养委员会(NSC)开始催化合成异异异丙三乙酸的酶.它减少了阿比阿比德氏变异体的相对主要根长,这种变异种增加了亚丁酸的活动,降低了丁代苯三乙酰胺含量,但不会在野型阿拉伯化亚丁基亚胺中增加,当用于浓度为1和10微米M时,则增加了AMY1和亚丁型.

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H332-H335
• 防范说明P261-P280-P305+P351+P338
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 风险等级Irritant
• WGK Germany3.0

上下游产品

合成工艺路线路线简述

• 771-51-7 = 879-37-8
  反应条件:1.1 Catalysts: Nitrile Hydratase
  标题:Synthesis Of Various Aromatic Amide Derivatives Using Nitrile Hydratase Of Rhodococcus Rhodochrous J1
  作者:Mauger,Jacques; Et Al
  参考文献:Tetrahedron 日期:1989 卷标:45(5) 页码:1347-54]
  
  61-54-1 = 879-37-8
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: Stereoisomer Of Dibromo[(1,2,5,6-η)-1,5-Cyclooctadiene][6-Phenyl-7-(Phenylmethyl... Solvents: Tert-Butanol; 24 H,70 °C
  标题:Aerobic Oxidation Of Primary Amines To Amides Catalyzed By An Annulated Mesoionic Carbene (Mic) Stabilized Ru Complex
  作者:Yadav,Suman; Et Al
  参考文献:Catalysis Science & Technology 日期:2021 卷标:11(21) 页码:7018-7028]
  
  87-51-4 = 879-37-8
  反应条件:1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Tetrahydrofuran; 1.5 H,Rt1.2 Reagents: Ammonia Solvents: Water; 18 H,Rt
  标题:Development Of [18F]Maleimide-Based Glycogen Synthase Kinase-3β Ligands For Positron Emission Tomography Imaging
  作者:Hu,Kongzhen; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2017 卷标:8(3) 页码:287-292]
  
  120-72-9 + 3638-64-0 = 879-37-8
  反应条件:1.1 Reagents: Phosphorus Trichloride; 5 Min,50 - 55 °C1.2 3 H,50 - 55 °C1.3 Reagents: Ammonia Solvents: Water; Ph 8,Cooled
  标题:Direct Reductive Coupling Of Indoles To Nitrostyrenes En Route To (Indol-3-Yl)Acetamides
  作者:Aksenov,Alexander V.; Et Al
  参考文献:Rsc Advances 日期:2016 卷标:6(96) 页码:93881-93886]
  
  50720-05-3 = 879-37-8
  反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Tetrahydrofuran; 0 °C; 1 H,0 °C -> Rt
  标题:Design,Synthesis And Anti-Ad Effects Of Dual Inhibitor Targeting Glutaminyl Cyclase/gsk-3β
  作者:Xie,Yazhou; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2023 卷标:248]
  
  73-22-3 = 879-37-8
  反应条件:1.1 Reagents: Glucose,Disodium Nadh,Glucose Dehydrogenase Catalysts: Tryptophan 2-Monooxygenase,Riboflavin Reductase (Nadph); 48 H,30 °C
  标题:Versatile And Facile One-Pot Biosynthesis For Amides And Carboxylic Acids In E. Coli By Engineering Auxin Pathways Of Plant Microbiomes
  作者:Menon,Navya; Et Al
  参考文献:Acs Catalysis 日期:2022 卷标:12(4) 页码:2309-2319]
  
  73-22-3 = 879-37-8 + 120-72-9 + 771-50-6 + 771-51-7 + 87-51-4 + 487-89-8 + 75833-70-4 + 103986-22-7
  反应条件:1.1 Reagents: Oxygen Solvents: Water; 20 Min,Ph 7.8,37 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Production Of Indole-3-Acetic Acid And Related Indole Derivatives From L-Tryptophan By Rubrivivax Benzoatilyticus Ja2
  作者:Mujahid,Md.; Et Al
  参考文献:Applied Microbiology And Biotechnology 日期:2011 卷标:89(4) 页码:1001-1008]
  
  771-51-7 = 879-37-8
  反应条件:1.1 Reagents: Water Catalysts: Ruthenium,Tetracarbonyl-μ-Hydrotrihydro-μ-Hydroxy-μ3-Hydroxy-μ4-Oxotetrakis(Tri...; 18 H,80 - 95 °C
  标题:Kinetic,Spectroscopic,And X-Ray Crystallographic Evidence For The Cooperative Mechanism Of The Hydration Of Nitriles Catalyzed By A Tetranuclear Ruthenium-μ-Oxo-μ-Hydroxo Complex
  作者:Yi,Chae S.; Et Al
  参考文献:Organometallics 日期:2008 卷标:27(9) 页码:2030-2035]
  
  87-51-4 = 879-37-8
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; Cooled; 4 H,Rt1.2 Reagents: Ammonia Solvents: Water; Cooled; 3 H,Cooled
  标题:Synthesis,Single Crystal X-Ray Analysis And Vibrational Spectral Studies Of 3,4-Di(1H-Indol-3-Yl)-1H-Pyrrole-2,5-Dione
  作者:Guo,Qian; Et Al
  参考文献:Journal Of Molecular Structure 日期:2023 卷标:1281]
  
  = 879-37-8 [标题:Reaction Conditions
  标题:Synthesis And Properties Of Azoles And Their Derivatives. 32. Synthesis And Some Reactions Of Hydrochlorides Of Indolylcarboxylic Acid Iminoesters
  作者:Kelarev,V. I.; Et Al
  参考文献:Khimiya Geterotsiklicheskikh Soedinenii 日期:1980 卷标:(5) 页码:645-50]
  
  120-72-9 + 56-45-1 = 879-37-8
  反应条件:1.1 Catalysts: Tryptophan Synthase; 48 H,30 °C1.2 Reagents: Glucose,Disodium Nadh,Glucose Dehydrogenase Catalysts: Tryptophan 2-Monooxygenase,Riboflavin Reductase (Nadph); 48 H,30 °C
  标题:Versatile And Facile One-Pot Biosynthesis For Amides And Carboxylic Acids In E. Coli By Engineering Auxin Pathways Of Plant Microbiomes
  作者:Menon,Navya; Et Al
  参考文献:Acs Catalysis 日期:2022 卷标:12(4) 页码:2309-2319]
  
  50720-05-3 = 879-37-8
  反应条件:1.1 Reagents: Ammonia Solvents: Water; Cooled; 3 H,Rt
  标题:Synthesis,Single Crystal X-Ray Analysis And Vibrational Spectral Studies Of 3,4-Di(1H-Indol-3-Yl)-1H-Pyrrole-2,5-Dione
  作者:Guo,Qian; Et Al
  参考文献:Journal Of Molecular Structure 日期:2023 卷标:1281]
  
  73-22-3 = 879-37-8
  反应条件:1.1 Catalysts: Indole-3-Acetic Acid Synthetase Solvents: Water; 6 H,Ph 8,37 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Tryptophan-Dependent Indole-3-Acetic Acid Biosynthesis By 'Iaa-Synthase' Proceeds Via Indole-3-Acetamide
  作者:Pollmann,Stephan; Et Al
  参考文献:Phytochemistry (Elsevier) 日期:2009 卷标:70(4) 页码:523-531]
  
  771-51-7 = 879-37-8
  反应条件:1.1 Reagents: Hydrochloric Acid2.1 -
  标题:Synthesis And Properties Of Azoles And Their Derivatives. 32. Synthesis And Some Reactions Of Hydrochlorides Of Indolylcarboxylic Acid Iminoesters
  作者:Kelarev,V. I.; Et Al
  参考文献:Khimiya Geterotsiklicheskikh Soedinenii 日期:1980 卷标:(5) 页码:645-50]
  
  4770-03-0 = 879-37-8 + 80485-89-8
  反应条件:1.1 Reagents: Formic Acid,Hydrogen Catalysts: Palladium Solvents: Methanol; 3 H,-10 °C; 1 H,-10 °C -> 10 °C
  标题:The First Isocyanide Of Plant Origin Expands Functional Group Diversity In Cruciferous Phytoalexins: Synthesis,Structure And Bioactivity Of Isocyalexin A
  作者:Pedras,M. Soledade C.; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2012 卷标:10(18) 页码:3613-3616]
  
  54-12-6 = 879-37-8 + 87-51-4
  反应条件:1.1 Reagents: Sulfur Solvents: Pyridine
  标题:Oxidative Degradation Of A-Substituted Carboxylic Acids
  作者:Feichtinger,Hans
  参考文献:Chemische Berichte 日期:1962 卷标:95 页码:2238-42

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  2912110000-甲醛
  2912120000-乙醛
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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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