名称和标识符别名信息物化性质安全信息海关数据相关文献专业数据库参考参考资料相关分类

1,3-[2H,4H]-异喹啉二酮 | 4456-77-3

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中文名称： 1,3-[2H,4H]-异喹啉二酮

英文名称： 4H-isoquinoline-1,3-dione

CAS No.： 4456-77-3

分子式： C₉H₇NO₂

分子量： 161.1574

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：1,3-[2H,4H]-异喹啉二酮结构式

PubChem CID： 349435

价格行情： 1,3-[2H,4H]-异喹啉二酮价格

快速询单国内供应商

1,3-[2H,4H]-异喹啉二酮的其他展现形式

相关化合物

6-甲基-3,4-二氢-2H-异喹啉-1-酮

6-Methyl-3,4-dihydroisoquinolin-1(2H)-one

CAS No.：1082041-78-8
5-甲基-3,4-二氢异喹啉-1-酮

3,4-dihydro-5-methyl-1(2H)-Isoquinolinone

CAS No.：129075-56-5
2-甲基异喹啉-1,3(2H,4H)-二酮

2-Methylisoquinoline-1,3(2H,4H)-dione

CAS No.：4494-53-5
1,3(2H,4H)-Isoquinolinedione, 2-pentyl-

CAS No.：106110-81-0
1,3(2H,4H)-Isoquinolinedione, 2-(3-oxobutyl)-

CAS No.：106110-80-9
 

CAS No.：5488-36-8

名称和标识符

MDL	MFCD00234966
InChIKey	QGNQEODJYRGEJX-UHFFFAOYSA-N
Inchi	1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12)
SMILES	O=C1C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C(N1[H])=O

别名信息

- 中文别名 -

1,3(2H,4H)-异喹啉二酮
异喹啉-1,3(2H,4H)-二酮
1,3-[2H,4H]-异喹啉二酮
2H,4H-1,3-异喹啉二酮

- 英文别名 -

1,3[2H,4H]-Isoquinolinedione
1,2,3,4-Tetrahydroisoquinoline-1,3-dione
1,3 (2H, 4H)-Isoquinolinedione
4H-Isoquinoline-1,3-dione
2,4-dihydroisoquinoline-1,3-dione

4H-isoquinolin-1,3-dione
Homophthalimide
Isoquinoline-1,3(2H,4H)-dione
isoquinoline-1,3-dione
2H,4H-1,3-Isoquinolinedione
FR 038470
NSC 409146
1,3(2H,4H)-Isoquinolinedione
MLS003373813
QGNQEODJYRGEJX-UHFFFAOYSA-N
homophtalic-imide
1,4H)-Isoquinolinedione
cid_349435
HMS1734A04
1,3-[2H,4H]-Isoquinolinedione
NSC409146
B
4H-isoquinoline-1,3-dione
AS-18364
AM20061083
CS-W006004
Y10382
A18787
CHEMBL1210769
AB05280
1,2,3,4-TETRAHYDROISOQUINOLINE-1,3-DIONE
UNII-36C8TUT4R4
BDBM50322995
1,2,3,4-4H-Isoquinolin-1,3-dione
SR-01000902235-2
1,2,3,4-Tetrahydro-1,3-dioxoisoquinoline
FT-0647852
SCHEMBL422023
SMR002048609
EN300-15352
MFCD00234966
36C8TUT4R4
SY067196
J-650194
DTXSID50325194
SR-01000902235
AKOS001174017
Z133528266
1,3,4-Tetrahydro-1,3-dioxoisoquinoline
Isoquinoline-1 pound not3(2H pound not4H)-dione
J-503856
4456-77-3
NSC-409146

物化性质

实验特性

LogP	0.82790
PSA	46.17000
折射率	1.56
沸点	377.1°C at 760 mmHg
熔点	236-238 ºC
溶解度	微溶 (5.8 g/L) (25 ºC),
密度	1.286±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量	161.04800
氢键供体数量	1
氢键受体数量	2
可旋转化学键数量	0
同位素质量	161.047678466g/mol
重原子数量	12
复杂度	225
同位素原子数量	0
确定原子立构中心数量	0
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	0.7
拓扑分子极性表面积	46.2

安全信息

危害声明	H302-H315-H319-H332-H335
警示性声明	P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
储存条件	Sealed in dry,Room Temperature
信号词	Warning

海关数据

海关编码	2933499090
海关数据	中国海关编码： 2933499090 概述： 2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% 申报要素：品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期 Summary： 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

海关编码

2933499090

海关数据

中国海关编码：

2933499090

概述：

2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

相关文献

1. Recent developments in the synthesis of the isoquinoline-1,3(2H,4H)-dione by radical cascade reaction
Yan-Ning Niu,Xiao-Feng Xia Org. Biomol. Chem. 2022 20 7861
2. Visible-light-promoted acyl radical cascade reaction for accessing acylated isoquinoline-1,3(2H,4H)-dione derivatives
Yingpeng Su,Rong Zhang,Wenxuan Xue,Xuan Liu,Yanan Zhao,Ke-Hu Wang,Danfeng Huang,Congde Huo,Yulai Hu Org. Biomol. Chem. 2020 18 1940
3. Aerobic thiyl radical addition/cyclization of N-methacryloyl benzamides for the synthesis of isoquinoline-1,3(2H,4H)-dione derivatives
Yan-qin Yuan,Pailla Santhosh Kumar,Chun-niu Zhang,Ming-hua Yang,Sheng-rong Guo Org. Biomol. Chem. 2017 15 7330
4. Visible light-promoted synthesis of 4-(sulfonylmethyl)isoquinoline-1,3(2H,4H)-diones via a tandem radical cyclization and sulfonylation reaction
Xu Liu,Tiantian Cong,Ping Liu,Peipei Sun Org. Biomol. Chem. 2016 14 9416
5. Metal-free oxidative functionalization of C(sp3)–H of ketones and alcohols for the synthesis of isoquinolinonediones
Su-Li Zhu,Ping-Xin Zhou,Xiao-Feng Xia RSC Adv. 2016 6 63325
6. Visible-light induced di- and trifluoromethylation of N-benzamides with fluorinated sulfones for the synthesis of CF2H/CF3-containing isoquinolinediones
Guanglong Zou,Xuelin Wang Org. Biomol. Chem. 2017 15 8748
7. Addition of nitrogen dioxide to carbon–carbon double bond followed by a cyclization to construct nitromethylated isoquinolinediones
Xuanxuan Li,Shengyi Zhuang,Xinxin Fang,Ping Liu,Peipei Sun Org. Biomol. Chem. 2017 15 1821
8. Metal-free TBAI-catalyzed arylsulfonylation of activated alkenes with sulfonylhydrazides
Wubin Yu,Peizhu Hu,Yuanyuan Fan,Congyao Yu,Xinhuan Yan,Xiaoqing Li,Xiangsheng Xu Org. Biomol. Chem. 2015 13 3308
9. Synthesis of isoquinoline-1,3(2H,4H)-dione derivatives via cascade reactions of N-alkyl-N-methacryloyl benzamide with aryl aldehydes
Wannian Zhao,Ping Xie,Min Zhang,Ben Niu,Zhaogang Bian,Charles Pittman,Aihua Zhou Org. Biomol. Chem. 2014 12 7690
10. Enantioselective synthesis of isoquinoline-1,3(2H,4H)-dione derivatives via a chiral phosphoric acid catalyzed aza-Friedel–Crafts reaction
Yong You,Wen-Ya Lu,Ke-Xin Xie,Jian-Qiang Zhao,Zhen-Hua Wang,Wei-Cheng Yuan Chem. Commun. 2019 55 8478

专业数据库参考

PubChemId	349435

参考资料

Beilstein	I193440

1,3-[2H,4H]-异喹啉二酮 | 4456-77-3

中国海关编码：

概述：

申报要素：

Summary：

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