N4,N4′-Bis(4-ethenylphenyl)-N4,N4′-di-1-naphthalenyl-[1,1′-biphenyl]-4,4′-diamine CAS: # 1010396-31-2; ChemWhat 代号:17504

鉴定物理数据光谱
合成路线(ROS)安全与危害其他数据

鉴定

产品名称N4,N4′-Bis(4-ethenylphenyl)-N4,N4′-di-1-naphthalenyl-[1,1′-biphenyl]-4,4′-diamine
IUPAC名称N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine
分子结构N4N4-Bis4-ethenylphenyl-N4N4-di-1-naphthalenyl-11-biphenyl-44-diamine-CAS-1010396-31-2
CAS注册号 1010396-31-2
同义词1010396-31-2
VNPB
N,N’-Bis(naphthalen-1-yl)-N,N’-bis(4-vinyl-phenyl)benzidine
N4,N4′-Di(naphthalen-1-yl)-N4,N4′-bis(4-vinylphenyl)-[1,1′-biphenyl]-4,4′-diamine
n4,n4′-di(naphthalen-1-yl)-n4,n4′-bis(4-vinylphenyl)biphenyl-4,4′-diamine
VNPB, AldrichCPR
,N4′ -bis(4-vinylphenyl)
附表255972
,N4′ -Di(naphthalen-1-yl)-N4
DB-120372
分子式C48H36N2
分子量640.8
INCHIInChI=1S/C48H36N2/c1-3-35-19-27-41(28-20-35)49(47-17-9-13-39-11-5-7-15-45(39)47)43-31-23-37(24-32-43)38-25-33-44(34-26-38)50(42-29-21-36(4-2)22-30-42)48-18-10-14-40-12-6-8-16-46(40)48/h3-34H,1-2H2
InChI键WTEWXIOJLNVYBZ-UHFFFAOYSA-N
异构体 SMILESCC=CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C=C)C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87
专利信息
专利ID标题发布日期
KR2016 / 59609 DISPLAY DEVICE USING A COMPOSITION FOR ORGANIC ELECTRONIC ELEMENT, AND AN ORGANIC ELECTRONIC ELEMENT THEREOF2016
WO2013 / 98175CROSSLINKABLE ARYLAMINE COMPOUNDS2013

物理数据

外观黄色粉末

光谱

数据不详


合成路线(ROS)

N4,N4'-Bis(4-ethenylphenyl)-N4,N4'-di-1-naphthalenyl-[1,1'-biphenyl]-4,4'-diamine CAS: # 1010396-31-2
N4,N4′-Bis(4-ethenylphenyl)-N4,N4′-di-1-naphthalenyl-[1,1′-biphenyl]-4,4′-diamine CAS: # 1010396-31-2
医美问题产量
With (diphenylphosphin)ferrocene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 80℃; for 1.5h;

实验步骤
Synthesis of Compound 1-1
Compound P-1 10.0 g was purified by sublimation, p- bromostyrene 10.1 g, bis (dibenzylideneacetone) palladium 0.53 g, 2-dimethylamino-2′-dicyclohexylphosphino biphenyl 0.39 g, sodium t-butoxide, 6.6g was stirred for 1.5 hours at 80 in toluene (115mL). The reaction solution was extracted with cooled ethyl acetate. The resulting organic phase was concentrated to give Compound 1 was purified by column chromatography with hexane / ethyl acetate as a developing solvent (hereinafter referred to as Compound 1-1). Mass after drying was 7.4 g (50.2% yield).
50.2%

安全与危害

GHS危害声明
没有分类

其他数据

药物相似性
Lipinski规则组件
分子量640.827
日志15.05
HBA2
HBD0
匹配Lipinski规则2
Veber规则组件
极性表面积(PSA)6.48
可旋转债券(RotB)9
匹配Veber规则2
使用模式
N4,N4′-Bis(4-ethenylphenyl)-N4,N4′-di-1-naphthalenyl-[1,1′-biphenyl]-4,4′-diamine CAS: # 1010396-31-2 is used OLED.

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