CAS: 938443-20-0; 2,4,7-Trichloropyrido[2,3-D]Pyrimidine

该化合物是三环化合物,其2,4和7个位置上有1个[2,3-d] 核子循环核心,以3个氯原子取代2,4和7个位置.这种结构具有高度的回动性,使其成为制药和农用化学合成中有价值的中间体.用电子提炼的氯化物增强了其在核生殖替代反应中的效用,使选择性功能化.其僵硬的引信环系系统有助于稳定,同时允许对药物发现和物质科学应用进行精确的修改.该化合物通常在受控的条件下处理,因为其反应性,其纯度对于合成途径的一贯性能至关重要.

英文名称2,4,7-Trichloropyrido[2,3-D]Pyrimidine
中文名称2,4,7-三氯吡啶并[2,3-d]嘧啶
IUPAC名称2,4,7-trichloropyrido[2,3-d]pyrimidine
其它别名2,4,7-三氯-吡啶[2,3-D]嘧啶; 2,4,7-Trichlorpyrido[2,3-D]Pyrimidin
CAS编号938443-20-0
MFCD编号:MFCD11109463
EINECS号:804-466-3
分子式:C7H2Cl3N3
分子量:234.47
产品CID: 1980842
产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

相似结构搜索
InChIKey: DNFDLCRLLQVUQK-UHFFFAOYSA-N
InChI=1S/C7H2Cl3N3/c8-4-2-1-3-5(9)12-7(10)13-6(3)11-4/h1-2H…
计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数0.0

相似化合物

126728-20-9 1234616-70-6 2891993-32-9

物理性质

沸点316.4±42.0°C at 760 mmHg
闪点174.5±13.5°C
密度1.7±0.1 g/cm3
pKa:-2.53±0.30(预测)
PSA:38.67
LogP:2.985
折射率1.688
外观形态白色至类白色固体
储存条件在惰性气体(氮气或氩气)下 2-8°C
产品应用该化合物用于双聚氯C1/MTORC2抑制剂的合成配制和发现AZD8055和AZD2014作为潜在的抗突触剂.

MSDS等安全信息

GHS象形图
GHS符号GHS06 & GHS05;
注释: Skull and crossbones & Corrosion
危险类别急性毒性类别3(经口)
严重眼损伤类别1
急性毒性类别4(经口)
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2A
警示词Danger(危险)
危险描述H301 |吞咽会中毒.
H318 |造成严重眼损伤.
H302 |吞咽有害.
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P264-P270-P330-P405-P501
危险等级6.1
UN编号2811.0
危险品标志T
包装等级Ⅲ
安全声明26-39-45
危险类别码25-41
WGK Germany3

欧盟法规

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 2,4,7-Trichloropyrido[2,3-D]Pyrimidine 主要起始原料 7-Chloropyrido[2,3-D]Pyrimidine-2,4-Diol
938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Toluene; 40 Min,70 °C1.2 Reagents: Phosphorus Oxychloride; 3 H,Reflux
标题:Preparation Of Heterocycles As Mtor Inhibitors
参考文献:China]

938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine,Phosphorus Oxychloride Solvents: Toluene; 100 °C
标题:Optimization Of Potent And Selective Dual Mtorc1 And Mtorc2 Inhibitors: The Discovery Of Azd8055 And Azd2014
作者:Pike,Kurt G.; Malagu,Karine; Hummersone,Marc G.; Menear,Keith A.; Duggan,Heather M. E.; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2013 卷标:23(5) 页码:1212-1216]

938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Toluene; Rt -> 70 °C; 30 Min,70 °C; 70 °C -> Rt1.2 Reagents: Phosphorus Oxychloride; 2.5 H,Rt -> 100 °C
标题:Preparation Of 1H-Pyrido[2,3-D]Pyrimidine Derivatives For Combination Therapy Of Cancer
参考文献:World Intellectual Property Organization]

938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Toluene; 30 Min,70 °C1.2 Reagents: Phosphorus Oxychloride; 2.5 H,100 °C
标题:Preparation Of (Piperazinyl)Pyridopyrimidines As Kras G12C Mutant Protein Inhibitor And Used For Treatment Of Cancer
参考文献:China]

938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Toluene; 25 °C; 0.5 H,70 °C; 70 °C -> 25 °C1.2 Reagents: Phosphorus Oxychloride; 25 °C; 3 H,100 °C
标题:Synthesis Of Quinazoline Heterocyclic Mtor Inhibitors Treating Cancer And Infectious Diseases
参考文献:World Intellectual Property Organization]

938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Toluene; 0.5 H,70 °C; 70 °C -> Rt1.2 Reagents: Phosphorus Trichloride; Rt; 2 H,10 °C
标题:Salt And Crystal Form Of Mtorc1/2 Dual Kinase Activity Inhibitor And Preparation Method
参考文献:World Intellectual Property Organization]

938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Toluene; 0.5 H,70 °C; 70 °C -> Rt1.2 Reagents: Phosphorus Oxychloride; Rt; 2 H,100 °C
标题:Preparation Of Pyridopyrimidine Compounds Acting As Mtorc 1/2 Double-Kinase Inhibitors
参考文献:World Intellectual Property Organization]

= 938443-20-0 [标题:Reaction Conditions
标题:Preparation Of Pyridine And Morpholine Derivatives As Combination Products For Treatment Of Cancer.
参考文献:United States]

938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Toluene; 40 Min,70 °C1.2 Reagents: Phosphorus Oxychloride; 3 H,Reflux
标题:Preparation Of Heteroaryl-Fused-Pyrimidine Derivatives As Mtor And Pi3K Inhibitors
参考文献:World Intellectual Property Organization]

938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Toluene; 30 Min,70 °C; 70 °C -> Rt1.2 Reagents: Phosphorus Oxychloride; 2.5 H,Rt -> 100 °C
标题:Pyrido-,Pyrazo- And Pyrimido-Pyrimidine Derivatives As Mtor Inhibitors And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Cancer
参考文献:United States]

938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Toluene; Rt; 30 Min,Rt -> 70 °C; 70 °C -> Rt1.2 Reagents: Phosphorus Oxychloride; 2.5 H,Rt -> 100 °C
标题:2-Methylmorpholine-Substituted Pyrido-,Pyrazo- And Pyrimidopyrimidine Derivatives As Mtor Inhibitors And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Cancer
参考文献:World Intellectual Property Organization]

938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Toluene; 30 Min,70 °C; Cooled1.2 Reagents: Phosphorus Oxychloride; 4 H,110 °C
标题:Pyridinopyrimidines As Mtor Inhibitors And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Proliferative Diseases
参考文献:China]

938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Toluene; 30 Min,70 °C1.2 Reagents: Phosphorus Oxychloride; 70 °C -> Rt; 2 H,Rt -> 100 °C
标题:Use Of Pyridopyrimidine Compounds In Preparation Of Drug For Treating Nasopharyngeal Carcinoma
参考文献:World Intellectual Property Organization]

938443-19-7 = 938443-20-0
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Toluene; Rt; 30 Min,70 °C; 70 °C -> Rt1.2 Reagents: Phosphorus Oxychloride; 3 H,100 °C; Cooled
标题:Preparation Of Imidazolylheteroaryldiamine Derivatives For Use As Jak Kinase Inhibitors
参考文献:World Intellectual Property Organization

2-氨基-6-氯烟酸置于氯化铵,1-羟基苯并三唑,盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺,N,N-二异丙基乙胺体系中,用 N,N-二甲基甲酰胺,甲苯作为反应溶剂,化学反应 33.5H,反应生成 2,4,7-三氯吡啶并[2,3-D]嘧啶
参考文献:Salt And Crystal Form Of Mtorc1/2 Dual Kinase Activity Inhibitor And Preparation Method Therefor
标题:Salt And Crystal Form Of Mtorc1/2 Dual Kinase Activity Inhibitor And Preparation Method Therefor
摘要:本发明涉及一种mtorc1/2双重激酶抑制剂的盐和晶体形式及其制备方法.还公开了该盐和晶体形式在制备与mtorc1/2双重激酶抑制剂相关的药物中的应用.