CAS: 872624-52-7; Methyl 2-Amino-5-Iodo-4-(Trifluoromethyl)Benzoate

该化合物是有机化合物,其特点是以氨基组,碘原子和三氟甲基组形式改变的苯并酸结构,该化合物一般是一种固体或晶体物质,在有机溶剂中可溶解.氨基化合物的存在表明氢联结的潜力,它会影响氢联结,影响氢联结在各种介质中的再活性和溶解性.三氟甲基组已知其具有独特的电子特性,可增加脂性,并影响化合物的生物活动.此外,碘分解基体可促进化合物在核分裂生物替代反应中的再活动.

英文名称Methyl 2-Amino-5-Iodo-4-(Trifluoromethyl)Benzoate
中文名称2-氨基-4-三氟甲基-5-碘苯甲酸甲酯
IUPAC名称methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate
其它别名2-氨基-5-碘-4-(三氟甲基)苯甲酸甲酯; Methyl 2-Amino-5-Iodo-4-(Trifluoromethyl)Benzoate
CAS编号872624-52-7
MFCD编号:MFCD11111107
分子式:C9H7F3INO2
分子量:345.06
产品CID: 1878786
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: ILCBGAMVQYUDFL-UHFFFAOYSA-N
InChI=1S/C9H7F3INO2/c1-16-8(15)4-2-6(13)5(3-7(4)14)9(10,11)12/h2-3H,14H2,1H3…
计算化学: 氢键受体数3.0氢键供体数1可旋转键数1

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

上下游产品

methyl 2-Amino-4-(trifluoromethyl)benzoate 2-nitro-4-trifluoromethylbenzoic acid2-amino-4-trifluoromethyl-5-vinyl-benzoic acid methyl ester methyl 2-amino-5-methyl-4-trifluoromethylbenzoate 2-acetylamino-5-iodo-4-trifluoromethyl-benzoic acid methyl ester 2-amino-5-ethynyl-4-trifluoromethyl-benzoic acid methyl ester

合成工艺路线路线简述

合成目标产物 Methyl 2-Amino-5-Iodo-4-(Trifluoromethyl)Benzoate 主要起始原料 2-Amino-4-Trifluoromethyl-Benzoic Acid Methyl Ester
61500-87-6 = 872624-52-7
反应条件:1.1 Reagents: Iodine,Silver Sulfate
标题:Design,Synthesis And Insecticidal Activities Of Novel Anthranilic Diamides Containing Fluorinated Groups As Potential Ryanodine Receptors Activitors
作者:Wu,Chang-Chun; Et Al
参考文献:Chinese Chemical Letters 日期:2017 卷标:28(6) 页码:1248-1251]

402-13-1 = 872624-52-7
反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol; Overnight,Reflux; 48 H,Reflux1.2 Reagents: Sodium Bicarbonate Solvents: Water; Neutralized2.1 Reagents: Iodine,Silver Sulfate; 3 H,Rt
标题:Discovery Of Icenticaftor (Qbw251),A Cystic Fibrosis Transmembrane Conductance Regulator Potentiator With Clinical Efficacy In Cystic Fibrosis And Chronic Obstructive Pulmonary Disease
作者:Grand,Darren Le; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2021 卷标:64(11) 页码:7241-7260]

402-13-1 = 872624-52-7
反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol2.1 Reagents: Iodine,Silver Sulfate
标题:Design,Synthesis And Insecticidal Activities Of Novel Anthranilic Diamides Containing Fluorinated Groups As Potential Ryanodine Receptors Activitors
作者:Wu,Chang-Chun; Et Al
参考文献:Chinese Chemical Letters 日期:2017 卷标:28(6) 页码:1248-1251

2-硝基-4-三氟甲基苯甲酸置于palladium 10% On Activated Carbon 硫酸,氢气,碘,Silver Sulfate体系中,用甲醇,乙醇作为反应溶剂,20.0 °C,700.01 Kpa 条件下,反应 19.0H,反应生成 2-氨基-5-碘-4-(三氟甲基)苯甲酸甲酯
参考文献:Wo2006/108591
标题:Wo2006/108591