四氢吡咯并[1,2,3-i,j]四氢喹啉 | 5840-01-7
中文名称:
四氢吡咯并[1,2,3-i,j]四氢喹啉
英文名称:
Lilodidine
CAS No.:
5840-01-7
分子式:
C1 1 H1 1 N
分子量:
157.2117
名称和标识符
MDL
MFCD09841910
InChIKey
QCCKSFHMARIKSK-UHFFFAOYSA-N
Inchi
1S/C11H11N/c1-3-9-5-2-7-12-8-6-10(4-1)11(9)12/h1,3-4,6,8H,2,5,7H2
SMILES
N12C([H])=C([H])C3C([H])=C([H])C([H])=C(C([H])([H])C([H])([H])C1([H])[H])C2=3
别名信息
- 中文别名 -
四氢吡咯并[1,2,3-i,j]四氢喹啉
5,6-二氢-4H-吡咯并[3,2,1-ij]喹啉
里洛里定
Lilolidine 里洛里定
四氢吡咯并[1,2,3-i,j]四氢喹啉,四氢吡咯并[1,2,3-i,j]四氢喹啉
- 英文别名 -
5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline
Lilolidine
2,3-DIHYDRO-1H-PYRROLO[3,2,1-IJ]QUINOLINE
Lilodidine
1,7-Trimethyleneindole
4H-Pyrrolo[3,2,1-ij]quinoline, 5,6-dihydro-
Lilolidine, 95%
G00001-Watson-Int
KSC917K8L
QCCKSFHMARIKSK-UHFFFAOYSA-N
BCP21768
FCH874696
RP22124
SY024437
5,6dihydro-4H-pyrolo[3,2,1-ij]quinoline
AX
5 pound not6-Dihydro-4H-pyrrolo[3 pound not2 pound not1-ij]quinoline
EN300-3453498
J-516532
1-azatricyclo[6.3.1.0,4,12]dodeca-2,4,6,8(12)-tetraene
A915134
DS-2184
1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
1-azatricyclo[6.3.1.0^{4,12}]dodeca-2,4,6,8(12)-tetraene
AKOS006329426
MFCD09841910
L0274
Lilolidine (5,6-Dihydro-4H-pyrrolo(3,2,1-ij)quinoline)
SCHEMBL1395813
AC-25058
CS-B1108
DTXSID80576238
5840-01-7
AMY842
FT-0653200
物化性质
实验特性
LogP
2.58750
PSA
4.93000
折射率
1.656
沸点
318.4℃ at 760 mmHg
熔点
84.0 to 88.0 deg-C
闪点
146.349 °C
密度
1.16
计算特性
精确分子量
157.08900
氢键供体数量
0
氢键受体数量
0
可旋转化学键数量
0
同位素质量
157.089149355g/mol
重原子数量
12
复杂度
178
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)
2.3
拓扑分子极性表面积
4.9
相关文献
1.
One-pot synthesis of 2-aryloxymethyl-1-cyanomethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline via rearrangement of the N-oxide from 1-aryloxy-4-tetrahydro-1-quinolylbut-2-yne
Krishna C. Majumdar,Shital K. Chattopadhyay,Abu T. Khan J. Chem. Soc. Perkin Trans. 1 1989 1285
2.
Transition metal mediated construction of pyrrole ring on 2,3-dihydroquinolin-4(1H)-one: synthesis and pharmacological evaluation of novel tricyclic heteroarenes
Mohosin Layek,Appi Reddy M.,A. V. Dhanunjaya Rao,Mallika Alvala,M. K. Arunasree,Aminul Islam,K. Mukkanti,Javed Iqbal,Manojit Pal Org. Biomol. Chem. 2011 9 1004
3.
Addition reactions of heterocyclic compounds. Part 77. Reaction of dimethyl acetylenedicarboxylate with 2- and 3-alkyl substituted indoles and the formation of (1 + 1 DMAD–CH4O) adducts
Roy M. Letcher,Michael C. K. Choi,R. Morrin Acheson,Richard J. Prince J. Chem. Soc. Perkin Trans. 1 1983 501
4.
Oxidative three-component 1,2-alkylarylation of alkenes with alkyl nitriles and N-heteroarenes
Xuan-Hui Ouyang,Ming Hu,Ren-Jie Song,Jin-Heng Li Chem. Commun. 2018 54 12345
5.
Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds
Xiao-Na Wu,Zhi-Hao You,Yan-Kai Liu Org. Biomol. Chem. 2018 16 6507
6.
Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds
Xiao-Na Wu,Zhi-Hao You,Yan-Kai Liu Org. Biomol. Chem. 2018 16 6507
7.
Copper-catalyzed intermolecular oxidative trifluoromethyl-arylation of styrenes with NaSO2CF3 and indoles involving C–H functionalization
Man-Yi Min,Ren-Jie Song,Xuan-Hui Ouyang,Jin-Heng Li Chem. Commun. 2019 55 3646
8.
Copper-catalyzed oxidative intermolecular 1,2-alkylarylation of styrenes with ethers and indoles
Rongkui Su,Yang Li,Man-Yi Min,Xuan-Hui Ouyang,Ren-Jie Song,Jin-Heng Li Chem. Commun. 2018 54 13511
9.
The photoredox alkylarylation of styrenes with alkyl N-hydroxyphthalimide esters and arenes involving C–H functionalization
Xia Wang,Ya-Fei Han,Xuan-Hui Ouyang,Ren-Jie Song,Jin-Heng Li Chem. Commun. 2019 55 14637
10.
Fluoroamide-driven intermolecular hydrogen-atom-transfer-enabled intermolecular 1,2-alkylarylation of alkenes
Chaozhihui Cheng,De Chen,Yang Li,Jian-Nan Xiang,Jin-Heng Li Org. Chem. Front. 2023 10 943
参考资料
Reaxys RN
131100
Beilstein
L157746
化合物详情(旧版)
SMILES
C1=CC2=C3N(CCCC3=C1)C=C2