CAS: 863127-76-8; (E)-N-(2-Chloro-6-Methylphenyl)-3-Ethoxyacrylamide

该化合物是一种合成有机化合物,具有α-β-不饱和的氨结构,具有乙氧替代成分,其同系系统和电益白会义使它成为有机合成的宝贵中间体,特别是用于建造热循环框架或作为农用化学和制药应用的前体;苯环上的氯和甲基替代成分加强了其替代或混合反应的回运动,而乙氧基组则具有金枪鱼可溶性和电子特性,其特点是在标准条件下保持稳定和高度纯度,确保研究和工业过程的一贯性能;其结构多功能性支持了多种功能化途径.

英文名称(E)-N-(2-Chloro-6-Methylphenyl)-3-Ethoxyacrylamide
中文名称(E)-N-(2-氯-6-甲基苯基)-3-乙氧基丙烯酰胺
IUPAC名称(E)-N-(2-chloro-6-methylphenyl)-3-ethoxyacrylamide
其它别名(E)-N-(2-氯-6-甲基苯基)-3-乙氧基丙烯酰胺达沙替尼中间体 100G; (Z)-N-(2-Chloro-6-Methylphenyl)-3-Ethoxyacrylamide
CAS编号863127-76-8
MFCD编号:MFCD13185963
FDA UNII编号:J2YJ7KQ88Z
分子式:C12H14ClNO2
分子量:239.7
产品CID: 1864268
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: DBYFNZJHXGNAGW-BQYQJAHWSA-N
InChI=1S/C12H14ClNO2/c1-3-16-8-7-11(15)14-12-9(2)5-4-6-10(12)13/h4-8H,3H2,1-2H3,(H,14,15)/b8-7+…
计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数4.0

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H315-H319-H335
防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

上下游产品

CAS号6191-99-7 3-乙氧基丙烯酰氯 | CAS号87-63-8 2-氯-6-甲基苯胺 | CAS号1001-26-9 3-乙氧基丙烯酸乙酯 | CAS号302964-24-5 2-氨基-N-(2-氯-6-甲...

合成工艺路线路线简述

87-63-8 + 99471-66-6 = 863127-76-8
反应条件:1.1 Reagents: Pyridine Solvents: Tetrahydrofuran; 0 - 5 °C; 2 H,20 °C
标题:A New And Efficient Preparation Of 2-Aminothiazole-5-Carbamides: Applications To The Synthesis Of The Anticancer Drug Dasatinib
作者:Chen,Bang-Chi; Et Al
参考文献:Arkivoc (Gainesville 日期:2010 卷标:(6) 页码:32-38]

87-63-8 + 99471-66-6 = 863127-76-8
反应条件:1.1 Reagents: Pyridine Solvents: Tetrahydrofuran; 15 Min,0 - 5 °C; 5 °C -> 20 °C; 2 H,20 °C; 20 °C -> 0 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
标题:Synthesis Of Dasatinib
作者:Zang,Jialiang; Et Al
参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2009 卷标:40(5) 页码:321-323]

= 863127-76-8
反应条件:1.1 0 °C; 2 H,0 °C; 12 H,0 °C -> Rt; 30 Min,120 °C2.1 Reagents: Pyridine Solvents: Tetrahydrofuran; 0 - 5 °C; 3 H,Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 5,0 - 10 °C
标题:Synthesis And Biological Activities Of 2-Amino-Thiazole-5-Carboxylic Acid Phenylamide Derivatives
作者:Liu,Wu-Kun; Et Al
参考文献:Archiv Der Pharmazie (Weinheim 日期:2011 卷标:344(7) 页码:451-458]

87-63-8 + 99471-66-6 = 863127-76-8 + 1349900-63-5
反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 6 H,0 - 5 °C
标题:Synthesis And Cytotoxicity Of Novel 2-Amino-5-Thiazolecarboxamide Derivatives
作者:Li,Hu; Et Al
参考文献:Journal Of Chemical Research 日期:2011 卷标:35(7) 页码:416-419]

87-63-8 + 99471-66-6 = 863127-76-8
反应条件:1.1 Reagents: Pyridine Solvents: Tetrahydrofuran; 0 - 5 °C; 3 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 5,0 - 10 °C
标题:Synthesis And Biological Activities Of 2-Amino-Thiazole-5-Carboxylic Acid Phenylamide Derivatives
作者:Liu,Wu-Kun; Et Al
参考文献:Archiv Der Pharmazie (Weinheim 日期:2011 卷标:344(7) 页码:451-458]

87-63-8 + 6191-99-7 = 863127-76-8
反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; Rt -> 0 °C; 0 - 5 °C1.2 0 - 5 °C; 2.5 H,Rt; Rt -> 0 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 4.0 - 5.0,0 °C
标题:Synthetic Process Of Dasatinib
作者:Wang,Wei; Et Al
参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2009 卷标:19(1) 页码:36-38]

= 863127-76-8 + 1349900-63-5
反应条件:1.1 12 H,0 - 5 °C; 2 H,120 °C2.1 Reagents: Triethylamine Solvents: Dichloromethane; 6 H,0 - 5 °C
标题:Synthesis And Cytotoxicity Of Novel 2-Amino-5-Thiazolecarboxamide Derivatives
作者:Li,Hu; Et Al
参考文献:Journal Of Chemical Research 日期:2011 卷标:35(7) 页码:416-419

3-乙氧基丙烯酸乙酯置于吡啶,氯化亚砜,水,Sodium Hydroxide体系中,用四氢呋喃作为反应溶剂,化学反应 4.0H,反应生成 (E)-N-(2-氯-6-甲基苯基)-3-乙氧基丙烯酰胺
参考文献: Triazine Derivatives And Their Therapeutical Applications[fr] Dérivés De Triazine Et Leurs Applications Thérapeutiques
标题: Triazine Derivatives And Their Therapeutical Applications[fr] Dérivés De Triazine Et Leurs Applications Thérapeutiques
摘要:本发明包括如式(I)所示的化合物及其药学上可接受的盐等.

海关参考信息

2901210000-乙烯
2901220000-丙烯
2902300000-甲苯
2903919090-氯苯
💡 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:WO-2011095125-A1
优先权日:2010-02-02
标题:Synthesis methods and purification methods of dasatinib
发明人：YAN RONG; YANG HAO; HOU WEN; XU YONGXIANG
权利人:NAN JING CAVENDISH BIO ENGINEERING TECHNOLOGY CO LTD; YAN RONG; YANG HAO; HOU WEN; XU YONGXIANG
摘要:Synthesis methods of dasatinib are provided, which comprise the following steps: reacting a compound of formula I with a compound of formula II to obtain a compound of formula III, and then connecting the compound of formula III with 2-chloro-6-methylaniline and 1-(2-hydroxyethyl)piperazine in any order to give dasatinib. Furthermore, purification methods of dasatinib are also provided.

专利号:US-9108954-B2
优先权日:2010-02-02
标题:Synthesis process of dasatinib and intermediate thereof
发明人：YAN RONG; YANG HAO; HOU WEN; XU YONGXIANG
权利人:YAN RONG; YANG HAO; HOU WEN; XU YONGXIANG; NAN JING CAVENDISH BIO ENGINEERING TECHNOLOGY CO LTD
摘要:Synthesis process of dasatinib is disclosed, which includes the step of reacting the compound of formula I with that of formula II to obtain the compound of formula III. Also disclosed is the compound of formula III which is used as an intermediate for synthesizing dasatinib. The substituents of R1, R2, R3 or R4 in formulae I, II or III are defined as in the description.

专利号:WO-2011095126-A1
优先权日:2010-02-02
标题:Synthesis process of dasatinib and intermediate thereof

专利号:US-2013030177-A1
优先权日:2010-02-02
标题:Synthesis process of dasatinib and intermediate thereof

专利号:EP-2532662-A1
优先权日:2010-02-02
标题 :Synthesis process of dasatinib and intermediate thereof