CAS: 175137-21-0; 4-Chloro-7-Methylthieno[3,2-D]Pyrimidine

该化合物是三环环化合物,其核心为三氯和甲基替代成分的三环基,该脚架对药用和药用化学有很大兴趣,因为它作为生物活性分子合成的多用途中间体很有用.4级的氯组增强了反应性,有利于核生殖替代反应,而7级的甲基组则有助于消毒和电子调节.其僵硬的引信环环形结构为多种功能化提供了稳定性和潜力,使其对药物的发现,特别是活性酶抑制剂的发育具有价值.该化合物定义精密的合成路线和高纯度进一步支持其在研究和工业应用中的使用.

英文名称4-Chloro-7-Methylthieno[3,2-D]Pyrimidine
中文名称4-氯-7-甲基噻吩并[3,2-d]嘧啶
IUPAC名称4-chloro-7-methylthieno[3,2-d]pyrimidine
其它别名4-氯-7-甲基噻吩(2,3)并嘧啶; 7-Chloro-3-Methylthieno(3,2-D)Pyrimidine
CAS编号175137-21-0
MFCD编号:MFCD00205202
EINECS号:639-284-1
分子式:C7H5ClN2S
分子量:184.65
产品CID: 893714
产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物

相似结构搜索
InChIKey: IYJDOVYAFDVIDB-UHFFFAOYSA-N
InChI=1S/C7H5ClN2S/c1-4-2-11-6-5(4)9-3-10-7(6)8/h2-3H,1H3…
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

35265-83-9 16269-66-2 936837-34-2

物理性质

熔点122-123°C
沸点301.3±37.0 °C at 760 mmHg
闪点136.0±26.5 °C
密度1.4±0.1 g/cm3
pKa:0.78±0.40(预测)
PSA:25.78
LogP:2.65312
折射率1.682
蒸汽压0.0±0.6 mmHg at 25°C
储存条件在惰性气体(氮气或氩气)下 2–8 °C
产品应用该化合物是一个有良好生物活动的导电循环化合物,特别是在制药领域进行了广泛研究.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
急性毒性类别4(吸入)
急性毒性类别4(经皮)
急性毒性类别4(经口)
严重眼刺激类别2A
警示词Warning(警告)
危险描述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.
H332 |吸入有害.
H312 |皮肤接触有害.
H302 |吞咽有害.
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
风险等级Irritant
安全声明26
危险类别码36

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 4-Chloro-7-Methylthieno[3,2-D]Pyrimidine 主要起始原料 7-Methyl-3,4-Dihydrothieno[3,2-D]Pyrimidin-4-One
(文献来源)合成步骤主要原料 7-Methyl-3,4-Dihydrothieno[3,2-D]Pyrimidin-4-One

7-Methyl-4-Methylsulfanylthieno[3,2-D]Pyrimidine置于磺酰氯体系中,用二氯甲烷,乙腈用作溶剂,化学反应 0.5H,以99%的收率获得4-氯-7-甲基噻吩并[3,2-D]嘧啶
参考文献:用硫酰氯对嘧啶环系统上的甲基硫烷基进行有效的一步氯化
标题:用硫酰氯对嘧啶环系统上的甲基硫烷基进行有效的一步氯化
摘要:使用乙腈/二氯甲烷中的硫酰氯,可轻松实现嘧啶环系统上甲基硫烷基和芳基硫烷基的一步式转化为相应的氯基.
Doi:10.1016/j.Tetlet.2010.06.056

专利信息

专利号:US-9574189-B2
优先权日:2005-12-01
标题:Enzymatic encoding methods for efficient synthesis of large libraries
发明人：FRANCH THOMAS; LUNDORF MIKKEL DYBRO; JACOBSEN SÃ˜REN NYBOE; OLSEN EVA KAMPMANN; ANDERSEN ANNE LEE; HOLTMANN ANETTE; HANSEN ANDERS HOLM; SÃ˜RENSEN ANDERS MALLING; GOLDBECH ANNE; DE LEON DAEN; KALDOR DITTE KIEVSMOSE; SLÃ˜K FRANK ABILDGAARD; HUSEMOEN GITTE NYSTRUP; DOLBERG JOHANNES; Jensen Kim BirkebÃ¦; PEDERSEN LENE; NÃ˜RREGAARD-MADSEN MADS; GODSKESEN MICHAEL ANDERS; GLAD SANNE SCHRÃ˜DER; NEVE SÃ˜REN; THISTED THOMAS; KRONBORG TINE TITILOLA AKINLEMINU; SAMS CHRISTIAN KLARNER; FELDING JAKOB; FRESKGÃ…RD PER-OLA; GOULIAEV ALEX HAAHR; PEDERSEN HENRIK
权利人:FRANCH THOMAS; LUNDORF MIKKEL DYBRO; JACOBSEN SÃ˜REN NYBOE; OLSEN EVA KAMPMANN; ANDERSEN ANNE LEE; HOLTMANN ANETTE; HANSEN ANDERS HOLM; SÃ˜RENSEN ANDERS MALLING; GOLDBECH ANNE; DE LEON DAEN; KALDOR DITTE KIEVSMOSE; SLÃ˜K FRANK ABILDGAARD; HUSEMOEN GITTE NYSTRUP; DOLBERG JOHANNES; Jensen Kim BirkebÃ¦; PEDERSEN LENE; NÃ˜RREGAARD-MADSEN MADS; GODSKESEN MICHAEL ANDERS; GLAD SANNE SCHRÃ˜DER; NEVE SÃ˜REN; THISTED THOMAS; KRONBORG TINE TITILOLA AKINLEMINU; SAMS CHRISTIAN KLARNER; FELDING JAKOB; FRESKGÃ…RD PER-OLA; GOULIAEV ALEX HAAHR; PEDERSEN HENRIK; NUEVOLUTION AS
摘要:Disclosed is a method for obtaining a bifunctional complex comprising a molecule linked to a single stranded identifier oligonucleotide, wherein a nascent bifunctional complex comprising a chemical reaction site and a priming site for enzymatic addition of a tag is a) reacted at the chemical reaction site with one or more reactants, and b) reacted enzymatically at the priming site with one or more tag(s) identifying the reactant(s).

专利号:US-11702652-B2
优先权日:2005-12-01
标题:Enzymatic encoding methods for efficient synthesis of large libraries

专利号:US-2009264300-A1
优先权日:2005-12-01
标题 :Enzymatic encoding methods for efficient synthesis of large libraries