CAS: 87808-49-9; Methyl 2-Bromo-4-Methylbenzoate

该化合物是一种属于苯甲酸酯类的有机化合物,其特征是附于苯并酸衍生物的甲基酯功能组,特别是含有溴原子和位于芳香环上的甲基组;该化合物一般无色至黄色液体或固态,取决于其纯度和温度;其特征是其在乙醇和乙醚等有机溶剂中的中等溶解性,而由于其缺水芳香结构,在水中溶解性较低.

英文名称Methyl 2-Bromo-4-Methylbenzoate
中文名称2-溴-4-甲基苯甲酸甲酯
IUPAC名称methyl 2-bromo-4-methylbenzoate
其它别名甲基2-溴-4-甲基苯甲酸酯; Methyl2-Bromo-4-Methylbenzoat
CAS编号87808-49-9
MFCD编号:MFCD03840737
EINECS号:890-530-6
分子式:C9H9BrO2
分子量:229.07
产品CID: 1886744
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: DJTUYAFJAGLQCK-UHFFFAOYSA-N
InChI=1S/C9H9BrO2/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5H,1-2H3…
计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数1.0

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
危险品标志Xi

上下游产品

合成工艺路线路线简述

7697-27-0 = 87808-49-9
反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Methanol; Rt; Overnight,Rt -> Reflux; Reflux -> Rt1.2 Reagents: Water; Rt
标题:Rh-Catalyzed Asymmetric Hydrogenation Of α,β- And β,β-Disubstituted Unsaturated Boronate Esters
作者:Yan,Qiaozhi; Et Al
参考文献:Chemistry - A European Journal 日期:2020 卷标:26(27) 页码:5961-5964]

53456-09-0 = 87808-49-9
反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; Rt -> 0 °C; 15 Min,0 °C1.2 Solvents: Dichloromethane; 15 Min,0 °C; 0 °C -> Rt; 30 Min,Rt
标题:N-Heterocyclic Carbene-Catalyzed Remote C(Sp3)-H Acylation Of Amides
作者:Xu,Huiwei; Et Al
参考文献:Tetrahedron Letters 日期:2023 卷标:121]

7697-27-0 + 18107-18-1 = 87808-49-9
反应条件:1.1 Solvents: Diethyl Ether,Methanol,Toluene; Rt; 2 H,Rt
标题:Supramolecular Control Of Selectivity In Hydroformylation Of Vinyl Arenes: Easy Access To Valuable β-Aldehyde Intermediates
作者:Dydio,Pawel; Et Al
参考文献:Angewandte Chemie 日期:2013 卷标:52(14) 页码:3878-3882]

7697-27-0 = 87808-49-9 [标题:Reaction Conditions
标题:Pd-Catalyzed/iodide-Promoted α-Arylation Of Ketones For The Regioselective Synthesis Of Isocoumarins
作者:Casnati,Alessandra; Et Al
参考文献:Journal Of Organic Chemistry 日期:2017 卷标:82(15) 页码:8296-8303]

7697-27-0 = 87808-49-9
反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; 10 Min,0 °C; 2 H,Rt2.1 Reagents: Triethylamine Solvents: Dichloromethane; Rt -> 0 °C; 15 Min,0 °C2.2 Solvents: Dichloromethane; 15 Min,0 °C; 0 °C -> Rt; 30 Min,Rt
标题:N-Heterocyclic Carbene-Catalyzed Remote C(Sp3)-H Acylation Of Amides
作者:Xu,Huiwei; Et Al
参考文献:Tetrahedron Letters 日期:2023 卷标:121

2-溴-4-甲基苯甲酸置于草酰氯,三乙胺,N,N-二甲基甲酰胺体系中,用二氯甲烷作为反应溶剂,化学反应 3.17H,反应生成 2-溴-4-甲基苯甲酸甲酯
参考文献:N-杂环卡宾催化的酰胺远程 C(Sp3)-H 酰化
标题:N-杂环卡宾催化的酰胺远程 C(Sp3)-H 酰化
摘要:通过自由基介导的 1,5-氢原子转移 (Hat) 机制开发了n-杂环卡宾催化的邻烷基苯甲酰胺的苄基 C-H 酰化和级联环化.与光氧化还原催化不同,这种无光方法能够通过 Breslow 烯醇化物通过单电子转移 (Set) 产生酰胺基自由基.温和的过程可容忍大多数常见的官能团,并以中等到高的收率提供各种二氢异喹啉酮.芳氧基酰胺的电化学特性与基态 Set 假设一致,并提出了一种可能的有机催化转化机制.
DOI:10.1016/j.Tetlet.2023.154483

海关参考信息

2906210000-苄醇
2912110000-甲醛
2912210000-苯甲醛
2915110000-甲酸
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-2024400552-A1
优先权日:2016-11-11
标题 :Heterocyclic modulators of lipid synthesis
发明人：BUCKLEY DOUGLAS I; DUKE GREGORY; WAGMAN ALLAN S; EVANCHIK MARC; MCDOWELL ROBERT S
权利人:SAGIMET BIOSCIENCES INC
摘要:Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by dysregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatitis C infection, cancer and metabolic disorders, such as non-alcoholic steatohepatitis (NASH).

专利号:US-11622968-B2
优先权日:2011-03-08
标题:Heterocyclic modulators of lipid synthesis
发明人：BUCKLEY DOUGLAS; DUKE GREGORY; WAGMAN ALLAN S; EVANCHIK MARC; MCDOWELL ROBERT S
权利人:SAGIMET BIOSCIENCES INC
摘要:Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by disregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatitis C infection, cancer and metabolic disorders, such as non-alcoholic steatohepatitis (NASH).

专利号:US-10226449-B2
优先权日:2013-12-20
标题:Heterocyclic modulators of lipid synthesis and combinations thereof
发明人：HEUER TIMOTHY SEAN; OSLOB JOHAN D; MCDOWELL ROBERT S; JOHNSON RUSSELL; YANG HANBIAO; EVANCHIK MARC; ZAHARIA CRISTIANA A; CAI HAIYING; HU LILY W; DUKE GREGORY; OHOL-GUPTA YAMINI; O'FARRELL MARIE
权利人:3 V BIOSCIENCES INC
摘要:Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by dysregulation of a fatty acid synthase pathway by the administration of such compounds and combinations of such compounds and other therapeutic agents.

专利号:US-11034690-B2
优先权日:2016-11-11
标题:Heterocyclic modulators of lipid synthesis
发明人：BUCKLEY DOUGLAS I; DUKE GREGORY; WAGMAN ALLAN S; EVANCHIK MARC; MCDOWELL ROBERT S
权利人:SAGIMET BIOSCIENCES INC; SAGINIET BIOSCIENCES INC
摘要:Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by disregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatitis C infection, cancer and metabolic disorders, such as non-alcoholic steatohepatitis (NASH).

专利号:US-9428502-B2
优先权日:2012-07-03
标题:Heterocyclic modulators of lipid synthesis
发明人：OSLOB JOHAN D; MCDOWELL ROBERT S; JOHNSON RUSSELL; YANG HANBIAO; EVANCHIK MARC; ZAHARIA CRISTIANA A; CAI HAIYING; HU LILY W; WAGMAN ALLAN S
权利人:3-V BIOSCIENCES INC
摘要:Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by disregulation of a fatty acid synthase pathway by the administration of such compounds.

专利号:US-9809591-B2
优先权日:2011-03-08
标题 :Heterocyclic modulators of lipid synthesis
发明人：OSLOB JOHAN D; MCDOWELL ROBERT S; JOHNSON RUSSELL; YANG HANBIAO; EVANCHIK MARC; ZAHARIA CRISTIANA A; CAI HAIYING; HU LILY W
权利人:3-V BIOSCIENCES INC
摘要:Compounds that are fatty acid synthesis modulators are provided. The compounds may be used to treat disorders characterized by disregulation of the fatty acid synthase function by modulating the function and/or the fatty acid synthase pathway. Methods are provided for treating such disorders including viral infections, such as hepatitis C infection, cancer and metabolic disorders.