CAS: 84228-44-4; Methyl 4-Amino-3-Chlorobenzoate

该化合物是一种苯甲酸酯衍生物,具有氨基和氯功能组,使其成为有机合成的多用途中间体,其分子结构(C8H8ClNO2)允许选择性反应,特别是在制药和农用化学应用方面.该化合物的晶状固体形式和有机溶剂中的中度溶解性有利于处理和净化.存在电饱和氨基氨基组和电排出氯替代成分,增强了其在交叉组合反应和进一步功能化中的效用.该物质通常用于活性药物成分和特殊化学品的合成.建议在惰性条件下妥善储存以保持稳定.

英文名称Methyl 4-Amino-3-Chlorobenzoate
中文名称4-氨基-3-氯苯甲酸甲酯
IUPAC名称methyl 4-amino-3-chlorobenzoate
其它别名3-Chloro-4-aminobenzoicacid methyl ester; 4-Amino-3-chlorobenzoic acid methyl ester; Methyl4-amino-3-chlorobenzoate
CAS编号84228-44-4
MFCD编号:MFCD01320686
EINECS号:626-737-3
分子式:C8H8ClNO2
分子量:185.61
产品CID: 1830834
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
产品信息参考;;
InChIKey: WKVJBYKFGNVWLM-UHFFFAOYSA-N
InChI=1S/C8H8ClNO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3…
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

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
皮肤腐蚀/刺激类别2
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
警示词Warning(警告)
危险描述H302 |吞咽有害.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
防范说明P264-P270-P330-P501
UN编号NONH for all modes of transport
危险品标志Xn,Xi
风险等级Irritant
安全声明36/37
危险类别码22
WGK Germany2

欧盟法规

ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

合成目标产物 Methyl 4-Amino-3-Chlorobenzoate 主要起始原料 Methanol And 4-Amino-3-Chlorobenzoic Acid
2486-71-7 = 84228-44-4
反应条件:1.1 Reagents: Thionyl Chloride Solvents: Methanol; 0 °C; 1 H,0 °C1.2 0 °C -> Rt; 2 D,Rt
标题:Rational Design Of Phosphoinositide 3-Kinase α Inhibitors That Exhibit Selectivity Over The Phosphoinositide 3-Kinase β Isoform
作者:Heffron,Timothy P.; Wei,Bin Qing; Olivero,Alan; Staben,Steven T.; Tsui,Vickie; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2011 卷标:54(22) 页码:7815-7833]

21803-75-8 = 84228-44-4
反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Water1.2 Reagents: Hydrochloric Acid,Dimethoxypropane Solvents: Methanol,Water
标题:Synthesis And Biological Evaluation Of Novel Prodrugs Of Anthracyclines For Selective Activation By The Tumor-Associated Protease Plasmin
作者:De Groot,Franciscus M. H.; De Bart,Anton C. W.; Verheijen,Jan H.; Scheeren,Hans W.
参考文献:Journal Of Medicinal Chemistry 日期:1999 卷标:42(25) 页码:5277-5283]

619-45-4 = 84228-44-4
反应条件:1.1 Reagents: Chlorosuccinimide Solvents: Isopropanol1.2 Reagents: Water
标题:Practical And Efficient Chlorination Of Deactivated Anilines And Anilides With Ncs In 2-Propanol
作者:Zanka,Atsuhiko; Kubota,Ariyoshi
参考文献:Synlett 日期:1999 卷标:(12) 页码:1984-1986]

619-45-4 = 84228-44-4
反应条件:1.1 Reagents: Lithium Chloride Catalysts: Cupric Chloride Solvents: Ethanol; 48 H,Reflux
标题:Copper-Mediated Monochlorination Of Anilines And Nitrogen-Containing Heterocycles
作者:Yang,Xue-Yan; Zhao,Hong-Yi; Mao,Shuai; Zhang,San-Qi
参考文献:Synthetic Communications 日期:2018 卷标:48(20) 页码:2708-2714]

619-45-4 = 84228-44-4
反应条件:1.1 Reagents: Acetic Acid,Hydrogen Peroxide,Barium Chloride Catalysts: Potassium Tungsten Oxide Solvents: Acetonitrile,Water; 27 H,50 °C
标题:Tungstate-Catalyzed Biomimetic Oxidative Halogenation Of (Hetero)Arene Under Mild Condition
作者:Ma,Zhuang; Lu,Helin; Liao,Ke; Chen,Zhilong
参考文献:Iscience 日期:2020 卷标:23(5)]

21803-75-8 + 77-76-9 = 84228-44-4
反应条件:1.1 Reagents: Potassium Hydroxide,Water Solvents: Water1.2 Reagents: Hydrochloric Acid Solvents: Methanol,2,2-Dimethoxypropane,Water
标题:New Approaches In Selective Chemotherapy With Tumor-Activated Prodrugs
作者:De Groot,Fmh
参考文献:2002]

128-09-6 + 619-45-4 = 84228-44-4
反应条件:1.1 Solvents: Acetonitrile
标题:A Convenient Procedure For The Chlorination Of Deactivated Anilines
作者:Nickson,Thomas E.; Roche-Dolson,Cathy A.
参考文献:Synthesis 日期:1985 卷标:669 页码:669-70]

619-45-4 = 84228-44-4 + 41727-48-4
反应条件:1.1 Reagents: Chlorosuccinimide Solvents: Ethanol; Rt; Overnight,80 °C; 80 °C -> Rt1.2 Reagents: Water; Rt
标题:Synthesis Of Functionalized Titanium-Carboxylate Molecular Clusters And Their Catalytic Activity
作者:Kim,Suyeon; Sarkar,Debraj; Kim,Youngik; Park,Myung Hwan; Yoon,Minyoung; Et Al
参考文献:Journal Of Industrial And Engineering Chemistry (Amsterdam 日期:2017 卷标:53 页码:171-176

4-氨基苯甲酸甲酯置于n-氯代丁二酰亚胺,异丙醇体系中,化学反应 0.25H,以92%的收率获得产物甲基4-氨基-3-氯化苯甲酸盐
参考文献:Practical And Efficient Chlorination Of Deactivated Anilines And Anilides With Ncs In 2-Propanol
标题:Practical And Efficient Chlorination Of Deactivated Anilines And Anilides With Ncs In 2-Propanol
摘要:在 2-丙醇中,用 Ncs 对失活的苯胺和苯胺类化合物进行了有效的单氯化.所述方法适用于大规模合成.
DOI:10.1055/s-1999-2999

海关参考信息

2903919090-氯苯
2906210000-苄醇
2912110000-甲醛
2912210000-苯甲醛
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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

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优先权日:2013-04-05
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权利人:NORTH CAROLINA CENTRAL UNIV; UNIV NORTH CAROLINA CHAPEL HILL
摘要:The present invention provides compounds of Formula (I): wherein variables X, Y, Z and R1 are as described herein. Some of the compounds described herein are glutamate dehydrogenase activators. The invention is also directed to pharmaceutical compositions comprising these compounds, uses of these compounds and compositions in the treatment of metabolic disorders as well as synthesis of the compounds.

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优先权日:2013-04-05
标题:Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same

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优先权日:2004-08-25
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优先权日:2013-04-05
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专利号:WO-2014165816-A1
优先权日:2013-04-05
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专利号:US-6906096-B2
优先权日:2002-06-28
标题 :4,7-Disubstituted indoles and methods of making
发明人：ALPER PHIL B; NGUYEN KHANH LINH T
权利人:IRM LLC
摘要:The present invention provides, compounds, methods and compositions of biologically important indoles. In addition, the present invention provides synthesis methods for substituting leaving groups at positions 4 and 7 of the indole ring as diversity generating elements.