CAS: 62150-45-2; 4-Bromopyridine-2-Carbonitrile

该化合物是一种有机化合物,其特征是其环,这是一个六人组成的芳香环,含有一个氮原子;4位置有溴原子,2位置有西诺组(-CN),其独特的化学特性.该化合物一般是一种固体,在极地有机溶剂中可溶解;在标准条件下具有中等稳定性,但可能会受到溴和西诺功能组的典型反应,如核糖核替代或电子嗜血替代.该环还可以参与各种化学变异,使该化合物在合成有机化学中有用.此外,4-Bromo-2-丙烯碳酸三联苯可能会在制药,农业化学和材料科学方面产生用途,因为它有能力作为较复杂的分子合成的建筑块块.在处理该化合物时,应注意安全防范措施,因为如果吸入或吸入,可能会对健康造成危害.

英文名称4-Bromopyridine-2-Carbonitrile
中文名称4-溴吡啶-2-甲腈
IUPAC名称4-bromopicolinonitrile
其它别名2-氰基-4-溴吡啶; 4-Bromopyridine-2-Carbonitrile
CAS编号62150-45-2
MFCD编号:MFCD04065805
EINECS号:688-035-3
分子式:C6H3BrN2
分子量:183.01
产品CID: 1603626
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: CZXDCTUSFIKLIJ-UHFFFAOYSA-N
InChI=1S/C6H3BrN2/c7-5-1-2-9-6(3-5)4-8/h1-3H…
计算化学: 氢键受体数2.0氢键供体数0可旋转键数0

相似化合物

131747-63-2 30766-03-1 62150-46-3

物理性质

熔点82-84°C
沸点265.3°C at 760 mmHg
闪点114.3±21.8 °C
密度1.7±0.1 g/cm3
pKa:-2.73±0.10(预测)
PSA:36.68
LogP:1.71578
折射率1.612
蒸汽压0.0±0.5 mmHg at 25°C
溶解性Chloroform (Slightly), Ethyl Acetate (Slightly)
外观形态类白色至浅米色固体
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作合成SORAFENIB抗菌素药物的起始材料.

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)
急性毒性类别3(吸入)
急性毒性类别3(经皮)
急性毒性类别3(经口)
急性毒性类别4(吸入)
急性毒性类别4(经皮)
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Warning(警告)
危险描述H302 |吞咽有害.
H331 |吸入会中毒.
H311 |皮肤接触会中毒.
H301 |吞咽会中毒.
H332 |吸入有害.
H312 |皮肤接触有害.
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3439.0
危险品标志T+
包装等级Ⅲ

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

4-溴吡啶n-氧化物以49%的收率获得产物4-溴吡啶-2-甲腈
参考文献:Antithrombotic Amidinophenylalanine And Amidinopyridylalanine Derivatives
标题:Antithrombotic Amidinophenylalanine And Amidinopyridylalanine Derivatives
摘要:本发明涉及式(I)的化合物,其中x为ch或n;y为可选择的单不饱和c.Sub.3-C.Sub.5烷基,可选择地取代为c.Sub.1-C.Sub.4烷基或亚甲基;r.Sup.1为h;c.Sub.1-C.Sub.4烷基,可选择地取代为c.Sub.1-C.Sub.4烷氧基,Oh,Nr.Sup.5R.Sup.6,Conr.Sup.5R.Sup.6,C.Sub.3-C.Sub.6环烷基或芳基;或c.Sub.3-C.Sub.6烯基;r.Sup.2为h;c.Sub.1-C.Sub.4烷基,可选择地取代为c.Sub.1-C.Sub.4烷氧基,Oh,Nr.Sup.5R.Sup.6,Conr.Sup.5R.Sup.6,C.Sub.3-C.Sub.6环烷基或芳基;或conr.Sup.5R.Sup.6;r.Sup.3和r.Sup.4各自独立地选自h;c.Sub.1-C.Sub.4烷基,可选择地取代为nr.Sup.5R.Sup.6;c.Sub.1-C.Sub.4烷氧基;卤素;conr.Sup.5R.Sup.6和芳基;r.Sup.5和r.Sup.6各自独立地选自h和c.Sub.1-C.Sub.4烷基;m和n各自独立地为1,2或3;这些化合物是有效且选择性的凝血酶抑制剂,可用于治疗深静脉血栓形成等疾病.

海关参考信息

2933310010-吡啶
2926909090-其他腈基化合物
2939800000-其他生物碱
💡 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-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-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-2018222892-A1
优先权日:2012-07-03
标题 :Heterocyclic modulators of lipid synthesis

专利号:EP-3083583-B1
优先权日:2013-12-20
标题:Heterocyclic modulators of lipid synthesis and combinations thereof

专利号:CA-2934251-A1
优先权日:2013-12-20
标题:A combination of heterocyclic modulators of lipid synthesis and chemotherapeutic drugs in treatment of cancer

专利号:EP-3083583-A1
优先权日:2013-12-20
标题 :Heterocyclic modulators of lipid synthesis and combinations thereof