483-49-8 (5,8,13,13a-四氢-6H-二苯并[a，g]喹啉,5,8,13,13a-tetrahydro-6H-dibenzo[a,g]quinolizine)

快速询单

结构式：

5,8,13,13a-四氢-6H-二苯并[a，g]喹啉MOL文件

CAS号：

483-49-8

中文名称：

5,8,13,13a-四氢-6H-二苯并[a，g]喹啉

英文名称：

5,8,13,13a-tetrahydro-6H-dibenzo[a,g]quinolizine

分子式：

C₁₇H₁₇N

分子量：

235.323584318161

5,8,13,13a-四氢-6H-二苯并[a，g]喹啉(483-49-8)名称与标识符

名称

英文别名：

5,8,13,13a-tetrahydro-6H-dibenzo[a,g]quinolizine;berbine;6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;TETRAHYDROPROTOBERBERINE;DL-TETRAHYDROPROTOBERBERINE;(+/-)-TETRAHYDROPROTOBERBERINE;5,8,13,13A-TETRAHYDRO-6H-DIBENZO(A,G)QUINOLIZINE;CHEBI:35611;483-49-8;DB-299372;5,6,7,8,13,13a-hexahydro-isoquinolino[3,2-a]isoquinoline;6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-;DTXSID70870550;SCHEMBL659757;BERBIN;UNII-728C74FB5Z;BERBINE [MI];PROTOBERBERINE, TETRAHYDRO-;Q27116529;728C74FB5Z;

标识符

InChIKey：

BRLDZKPJJNASGG-UHFFFAOYSA-N

Inchi：

1S/C17H17N/c1-2-7-15-12-18-10-9-13-5-3-4-8-16(13)17(18)11-14(15)6-1/h1-8,17H,9-12H2

SMILES：

N12CC3C=CC=CC=3CC1C1C=CC=CC=1CC2

5,8,13,13a-四氢-6H-二苯并[a，g]喹啉(483-49-8)物化性质

实验特性

PSA : 3.24
沸点 : 354.2°Cat760mmHg
熔点 : 85°
闪点 : 151.8°C
密度 : 1.17

计算特性

精确分子量 : 235.13621
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 235.136
重原子数量 : 18
复杂度 : 300
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 : 1
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） : 3.4
拓扑分子极性表面积 : 3.2Å²

5,8,13,13a-四氢-6H-二苯并[a，g]喹啉(483-49-8)相关文献

1. Studies on the syntheses of heterocyclic compounds. Part 683. Stevens rearrangement of berbine methiodides by sodium bis-(2-methoxyethoxy)aluminium hydride
Tetsuji Kametani,Akira Ujiie,Shyh-Pyng Huang,Masataka Ihara,Keiichiro Fukumoto J. Chem. Soc. Perkin Trans. 1 1977 394
2. Studies on the alkaloids of formosan Corydalis species. Part VI. Elucidation of the structures of two spirobenzylisoquinoline alkaloids, yenhusomine and yenhusomidine, and two berbine alkaloids, corytenchine and corytenchirine, from Corydalis ochotensis(turcz.)
Sheng-Teh Lu,Tsann-Long Su,Tetsuji Kametani,Akira Ujiie,Masataka Ihara,Keiichiro Fukumoto J. Chem. Soc. Perkin Trans. 1 1976 63
3. Studies on the syntheses of heterocyclic compounds. Part CDXII. Total synthesis of canadine
T. Kametani,K. Fukumoto,T. Terui,K. Yamaki,E. Taguchi J. Chem. Soc. C 1971 2709
4. Studies on the syntheses of heterocyclic compounds. Part DCL. Total synthesis of corytenchirine
Tetsuji Kametani,Kira Ujiie,Masataka Ihara,Keiichiro Fukumoto,Sheng-Teh Lu J. Chem. Soc. Perkin Trans. 1 1976 1218
5. Aspects of isocoumarin chemistry. Part I. A synthesis of berbine derivatives
D. W. Brown,S. F. Dyke,M. Sainsbury,G. Hardy J. Chem. Soc. C 1971 3219
6. The role of biocatalysis in the asymmetric synthesis of alkaloids
Joerg H. Schrittwieser,Verena Resch RSC Adv. 2013 3 17602
7. Regioselectivity in the thermal 1,2-cycloaddition of benzocyclobutenes to 3,4-dihydroisoquinolines
Tetsuji Kametani,Yasuyuki Katoh,Keiichiro Fukumoto J. Chem. Soc. Perkin Trans. 1 1974 1712
8. Studies on the syntheses of heterocyclic compounds. Part 679. A stereoselective total synthesis of (±)-ophiocarpine; a simple route to 13-hydroxyberbines
Tetsuji Kametani,Hiroo Matsumoto,Yoshinari Satoh,Hideo Nemoto,Keiichiro Fukumoto J. Chem. Soc. Perkin Trans. 1 1977 376
9. Synthesis of 5,6,7,8-tetrahydro-7-methyldibenz[c,g]azecin-14(13H)-one: the structural skeleton of the protopine alkaloids
A. L. Margni,D. Giacopello,V. Deulofeu J. Chem. Soc. C 1970 2578
10. Studies on the syntheses of heterocyclic compounds. Part DXCVII. Novel formation of benzo[5,6]cyclohept[1,2,3-ij]isoquinolines from berbinium salts
Tetsuji Kametani,Makoto Takemura,Keiichi Takahashi,Mitsuhiro Takeshita,Masataka Ihara,Keiichiro Fukumoto J. Chem. Soc. Perkin Trans. 1 1975 1012