6164-53-0 (间卟啉二甲酯,Ooporpyhrin dimethyl ester)

快速询单

结构式：

间卟啉二甲酯MOL文件

CAS号：

6164-53-0

中文名称：

间卟啉二甲酯

英文名称：

Ooporpyhrin dimethyl ester

分子式：

C₃₆H₃₈N₄O₄

分子量：

590.71132

间卟啉二甲酯(6164-53-0)名称与标识符

名称

中文别名：

间卟啉二甲酯;二羟丙酮二聚体;

英文别名：

OOPORPYHRIN DIMETHYL ESTER;Protoporphyrin IX dimethyl ester,Dimethyl-8,13-bis(vinyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate;Dimethyl-8,13-bi8(vinyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate;DIMETHYL-8,13-BIS(VINYL)-3,7,12,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPIONATE;PROTOPORPHYRIN DIMETHYL ESTER;Protoporphyrin IX dimethyl ester;PROTOPORPHYRIN IX METHYL ESTER;CHEMBL12467;XNCGCBXDDMJCKW-MFBGAUBSSA-N;NSC19666;Protoporphyrin ix,dimethyl ester;6164-53-0;AS-60933;2, 3,7,12,17-tetramethyl-8,13-divinyl-, dimethyl ester;W-105577;Dimethyl 7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoate;7,12-Diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid, dimethyl ester;CS-W009596;CHEBI:169553;AKOS037645469;DB-053957;Protoporphyrin IX, dimethyl ester;methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate;Dimethyl 3,3'-(3,8,13,17-tetramethyl-7,12-divinylporphyrin-2,18-diyl)dipropionate;WASRLAPXOHTNAX-MFBGAUBSSA-N;Dimethyl 7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid;Dimethylprotoporphyrin IX dimethyl ester;Protoporphyrin IX dimethyl ester, ~90% (HPLC);methyl 3-[10,15-diethenyl-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1?,?.1?,??.1??,??]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoate;SCHEMBL13879285;Dimethyl 8,13-divinyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate;dipropanoic acid-2,18-dimethyl ester;21H,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl-, dimethyl ester;SCHEMBL498561;STL578324;methyl 3-[(1Z,4Z,9Z,15Z)-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-8,13-divinyl-21,23-dihydroporphyrin-2-yl]propanoate;

标识符

InChIKey：

LQBPATQBTSBIIH-UHFFFAOYSA-N

Inchi：

InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37-38H,1-2,11-14H2,3-8H3

SMILES：

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C=C

间卟啉二甲酯(6164-53-0)物化性质

实验特性

LogP : 4.21740
PSA : 108.90000
熔点 : 225-228 °C(lit.)

计算特性

精确分子量 : 590.28900
氢键供体数量 : 2
氢键受体数量 : 6
可旋转化学键数量 : 10
同位素质量 : 590.28930571g/mol
重原子数量 : 44
复杂度 : 1040
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） : 5.3
拓扑分子极性表面积 : 110Å²

间卟啉二甲酯(6164-53-0)安全信息

WGK Germany： 3
FLUKA BRAND F CODES： 8-10-23

间卟啉二甲酯(6164-53-0)推荐厂家更多厂家(2)

公司名称	手机号/电话	联系人	QQ	微信	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269		询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364		询单

间卟啉二甲酯(6164-53-0)相关文献

1. Biosynthesis of porphyrins and related macrocycles. Part III. Rational syntheses of [β-13C]-, [γ-13C]-, and [δ-13C]-protoporphyrin-IX: assignment of the 13C nuclear magnetic resonance signals from the meso-carbon atoms of protoporphyrin-IX dimethyl ester
Alan R. Battersby,Gordon L. Hodgson,Masataka Ihara,Edward McDonald,John Saunders J. Chem. Soc. Perkin Trans. 1 1973 2923
2. Electrophilic substitution reactions of derivatives of deuteroporphyrin-IX : deuteriation and Vilsmeier formylation
Kevin M. Smith,Kevin C. Langry J. Chem. Soc. Perkin Trans. 1 1983 439
3. Synthetic and biosynthetic studies of porphyrins. Part 11. The synthesis of meso oxygenated protoporphyrins
Anthony H. Jackson,K. R. Nagaraja Rao,Martyn Wilkins J. Chem. Soc. Perkin Trans. 1 1987 307
4. Assignment of 13C-signals from the meso-carbons by syntheses of 13C-protoporphyrin-IX dimethyl esters
Alan R. Battersby,Gordon L. Hodgson,Masataka Ihara,Edward McDonald,John Saunders J. Chem. Soc. Chem. Commun. 1973 441
5. Characterization of cytosolic tetrapyrrole-binding proteins in Arabidopsis thaliana
Shigekazu Takahashi,Takuro Ogawa,Kazuhito Inoue,Tatsuru Masuda Photochem. Photobiol. Sci. 2008 7 1216
6. Biosynthesis of porphyrins and related macrocycles. Part 14. Studies with [14C]isoporphobilinogen and four isomeric labelled pyrromethanes: specific conversion of the unrearranged pyrromethane NH3.AP.AP into haem and protoporphyrin-IX
Alan R. Battersby,John F. Beck,Keith H. Gibson,Gordon L. Hodgson,Roger E. Markwell,Edward McDonald,Jacqueline Moron,Leon N. Nixon J. Chem. Soc. Perkin Trans. 1 1981 2771
7. Syntheses of pemptoporphyrin, isopemptoporphyrin, and protoporphyrin IX dimethyl esters
R. Grigg,A. W. Johnson,M. Roche J. Chem. Soc. C 1970 1928
8. Syntheses of some β-substituted alkyne porphyrins related to protoporphyrin-IX
Xuqin Jiang,Kevin M. Smith J. Chem. Soc. Perkin Trans. 1 1996 1601
9. Luminescence from protoporphyrin IX dimethyl ester
Susan J. Chantrell,Charles A. McAuliffe,Robert W. Munn,Albert C. Pratt,Edward J. Land J. Chem. Soc. Chem. Commun. 1975 470
10. Exchange coupling in binuclear oxy-bridged iron(III) protoporphyrin IX dimethyl ester
Thomas H. Moss,Henry R. Lillienthal,Charles Moleski,George A. Smythe,Mildred C. McDaniel,Winslow S. Caughey J. Chem. Soc. Chem. Commun. 1972 263