CAS: 93247-78-0; Methyl 1H-Indole-7-Carboxylate

• 英文名称Methyl 1H-Indole-7-Carboxylate
• 中文名称吲哚-7-甲酸甲酯
• IUPAC名称methyl 1H-indole-7-carboxylate
• 其它别名1H-吲哚-7-羧酸甲酯; Methyl Indole-7-Carboxylate
• CAS编号93247-78-0
• MFCD编号:MFCD00211064
• EINECS号:687-631-0
• 分子式:C10H9NO2
• 分子量:175.19
• 产品CID: 1970838
• 产品分类有机原料→分子砌块→芳杂环类化合物→吲哚类化合物

• 相似结构搜索
• 产品信息参考;;
• InChIKey: FTLOEULOTNVCGF-UHFFFAOYSA-N
• InChI=1S/C10H9NO2/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-6,11H,1H3…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点45-48°C
• 沸点331.7°C at 760 mmHg
• 闪点154.4 °C
• 密度1.253±0.06 g/cm3(预测)
• pKa:15.42±0.30(预测)
• PSA:42.09
• LogP:1.9545
• 折射率1.639
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态白色至类白色固体
• 储存条件惰性气氛,室温
• 产品应用该化合物用于治疗癌症.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT
• 危险品标志Xi
• 安全声明26-36/37/39-37/39
• 危险类别码36/37/38
• WGK GermanyWGK 3 highly water endangering

欧盟法规

上下游产品

合成工艺路线路线简述

• 1670-83-3 = 93247-78-0
  反应条件:1.1 Solvents: Dimethyl Carbonate; Rt; 7 H,160 °C; 160 °C -> Rt
  标题:Chemoselective Reactions Of Dimethyl Carbonate Catalyzed By Alkali Metal Exchanged Faujasites: The Case Of Indolylcarboxylic Acids And Indolyl-Substituted Alkylcarboxylic Acids
  作者:Selva,Maurizio; Tundo,Pietro; Brunelli,Davide; Perosa,Alvise
  参考文献:Green Chemistry 日期:2007 卷标:9(5) 页码:463-468]
  
  1670-83-3 = 93247-78-0
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol; 20 H,Reflux
  标题:Indolylmaleimides As Soft Pan-Pkc Inhibitors And Their Preparation
  参考文献:World Intellectual Property Organization]
  
  4637-24-5 + 5471-82-9 = 93247-78-0
  反应条件:1.1 Reagents: Piperidine Solvents: Dimethylformamide; 130 - 140 °C1.2 Reagents: Acetic Acid,Iron Solvents: Ethanol; Heated; 2 H,Reflux1.3 Reagents: Water
  标题:Synthesis Of Substituted Indole-3-Carboxaldehyde Derivatives
  作者:Ge,Yu-Hua; Wu,Ya-Ming; Xue,Zhong-Jun
  参考文献:Youji Huaxue 日期:2006 卷标:26(4) 页码:563-567]
  
  1616777-27-5 = 93247-78-0 [标题:Reaction Conditions
  标题:Regioselective π-Extension Of Indoles With Rhodium Enalcarbenoids - Synthesis Of Substituted Carbazoles
  作者:Rathore,Kuldeep Singh; Harode,Mandeep; Katukojvala,Sreenivas
  参考文献:Organic & Biomolecular Chemistry 日期:2014 卷标:12(43) 页码:8641-8645]
  
  126759-37-3 = 93247-78-0 [标题:Reaction Conditions
  标题:Product Subclass 4: Palladium-Alkene Complexes
  作者:Takacs,J. M.; Vayalakkada,S.
  参考文献:Science Of Synthesis 日期:2002 卷标:1 页码:319-387]
  
  = 93247-78-0 [标题:Reaction Conditions
  标题:N-Benzyl Dihydroindole Derivatives As Ltd4 Antagonists.
  参考文献:European Patent Organization]
  
  = 93247-78-0 [标题:Reaction Conditions
  标题:Preparation Of 1-[(Imidazolomethyl)Phenyl]Indolecarboxylates And Analogs As Antihypertensives
  参考文献:European Patent Organization]
  
  = 93247-78-0 [标题:Reaction Conditions
  标题:Preparation Of Indoles From 2-Nitrostyrenes
  参考文献:Japan]
  
  = 93247-78-0 [标题:Reaction Conditions
  标题:Preparation Of Alkoxycarbonylindolines And -Indoles
  参考文献:Japan]
  
  51417-51-7 = 93247-78-0
  反应条件:1.1 Solvents: Methanol; 10 Min,Rt1.2 Reagents: Triethylamine Catalysts: 1,1-Bis(Diphenylphosphino)Ferrocene,[1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium; 48 H,600 Pa,130 °C
  标题:A New Modular Indole Synthesis. Construction Of The Highly Strained Cdef Parent Tetracycle Of Nodulisporic Acids A And B
  作者:Smith,Amos B. Iii; Kuerti,Laszlo; Davulcu,Akin H.
  参考文献:Organic Letters 日期:2006 卷标:8(10) 页码:2167-2170]
  
  126759-45-3 = 93247-78-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Rhodium Solvents: Ethanol
  标题:A Regiocontrolled Synthesis Of Substituted Indoles By Palladium-Catalyzed Coupling Of 2-Bromonitrobenzenes And 2-Bromoacetanilides
  作者:Kasahara,Akira; Izumi,Taeko; Murakami,Satoshi; Miyamoto,Kazuhiro; Hino,Toshimi
  参考文献:Journal Of Heterocyclic Chemistry 日期:1989 卷标:26(5) 页码:1405-13]
  
  917506-85-5 = 93247-78-0
  反应条件:1.1 Reagents: Acetic Acid,Iron Solvents: Ethanol; 2 H,Reflux
  标题:Synthesis Of 3-Formnylindole-7-Carboxylic Acid
  作者:Ge,Yu-Hua; Wu,Ya-Ming; Xue,Zhong-Jun
  参考文献:Huaxue Shiji 日期:2006 卷标:28(3) 页码:181-182]
  
  4637-24-5 + 5471-82-9 = 93247-78-0
  反应条件:1.1 Solvents: Dimethylformamide1.2 Reagents: Titanium Chloride (Ticl3) Solvents: Methanol,Water
  标题:The Chemistry Of Indoles. Xxxiii. Substituent Effect In Regioselective Metalation Of 3-Indolecarboxaldehyde And Syntheses Of Indoles Carrying A Carbon Side Chain At The 4-,5-,6-,Or 7-Position
  作者:Somei,Masanori; Saida,Yoshihiro; Komura,Naoko
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1986 卷标:34(10) 页码:4116-25]
  
  1670-83-3 = 93247-78-0
  反应条件:1.1 Reagents: Trimethylsilyldiazomethane; 30 Min,Rt
  标题:Plant Growth Regulator Having Specific Compound
  参考文献:Japan]
  
  126759-37-3 = 93247-78-0 [标题:Reaction Conditions
  标题:Product Class 13: Indole And Its Derivatives
  作者:Joule,J. A.
  参考文献:Science Of Synthesis 日期:2001 卷标:10 页码:361-652]
  
  68109-89-7 = 93247-78-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Tetrahydrofuran
  标题:Some Observations On The Formation Of 1-Hydroxyindoles In The Leimgruber-Batcho Indole Synthesis
  作者:Clark,Robin D.; Repke,David B.
  参考文献:Journal Of Heterocyclic Chemistry 日期:1985 卷标:22(1) 页码:121-5]
  
  = 93247-78-0 [标题:Reaction Conditions
  标题:Regioselective Dehydrogenative Reverse Prenylation Of Indoles With 2-Methyl-2-Butene
  作者:Li,Yong-Hua; Wang,Meng-Yue; Zhao,Bao-Yin; Zhang,Hong-Xia; Guo,Shi-Huan; Et Al
  参考文献:Chemistry - A European Journal 日期:2023 卷标:29(37)]
  
  = 93247-78-0 [标题:Reaction Conditions
  标题:Palladium-Catalyzed Synthesis Of Indoles By Reductive N-Heteroannulation Of 2-Nitrostyrenes
  作者:Soderberg,Bjorn C.; Shriver,James A.
  参考文献:Journal Of Organic Chemistry 日期:1997 卷标:62(17) 页码:5838-5845]
  
  = 93247-78-0 [标题:Reaction Conditions
  标题:Indoles From 2-Methylnitrobenzenes By Condensation With Formamide Acetals Followed By Reduction: 4-Benzyloxyindole (1H-Indole,4-(Phenylmethoxy)-)
  作者:Batcho,Andrew D.; Leimgruber,Willy
  参考文献:Organic Syntheses 日期:1985 卷标:63 页码:214-25]
  
  = 93247-78-0 [标题:Reaction Conditions
  标题:Indole-7-Carboxylic Acid
  参考文献:Ussr

海关参考信息

• 2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
  2915110000-甲酸
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• ➥ 危险代码说明
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