Nickel(II) tetramethoxyphenylporphyrin CAS#: 39828-57-4; 凯望编码 (ChemWhat Code): 1489675

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名Nickel(II) tetramethoxyphenylporphyrin
IUPAC Namenickel(2+);5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
分子结构Structure of Nickel(II) tetramethoxyphenylporphyrin CAS# 39828-57-4
CAS编号 39828-57-4
MDL NumberMFCD07787297
别名39828-57-4
nickel(2+);5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
WIHHBQHMISDZOC-NHZJRHMYSA-N
Nickel(II)tetramethoxyphenylporphyrin
Nickel, [5,10,15,20-tetrakis(4-methoxyphenyl)-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-4-1)-
分子式C48H36N4NiO4
分子量791.5
InChIInChI=1S/C48H36N4O4.Ni/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31;/h5-28H,1-4H3;/q-2;+2
InChI KeyWIHHBQHMISDZOC-UHFFFAOYSA-N
Isomeric SMILESCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)[N-]3.[Ni+2]  

Physical Data

AppearancePurple powder

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Chemical shifts, Spectrum1Hdichloromethane-d2
Chemical shifts, Spectrum1Hchloroform-d125
Chemical shifts, Spectrum13Cchloroform-d125
Chemical shifts, Spectrum1Hchloroform-d126.84500
Description (IR Spectroscopy)
Spectrum
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)
Absorption maximaH2O, NaOH

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Nickel(II) tetramethoxyphenylporphyrin CAS# 39828-57-4
Route of Synthesis (ROS) of Nickel(II) tetramethoxyphenylporphyrin CAS# 39828-57-4
ConditionsYield
With phenoxathiinyl hexachloroantimonate In dichloromethane at 20℃;

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

Shelf Life1 year
Market Price
Druglikeness
Lipinski rules component
分子量791.528
logP
HBA8
HBD0
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)43.4
Rotatable Bond (RotB)8
Matching Veber Rules2
Use Pattern
Nickel(II) tetramethoxyphenylporphyrin CAS 39828-57-4 is a metalloporphyrin compound with unique optical, electrochemical, and catalytic properties. Nickel(II) tetramethoxyphenylporphyrin can serve as a catalyst for various oxidation reactions, such as the epoxidation of alkenes and hydroxylation of alkanes. Its high catalytic efficiency makes it valuable in organic synthesis. It can also be used to catalyze reduction reactions, such as hydrogenation and electrochemical reduction reactions.

试剂采购

没有试剂厂商? 向凯望发送快速询价
想要被列为试剂厂商? (付费服务) 点击这里联系凯望

认证生产商

想要被列为认证生产商 (需要通过认证)? 请下载并填写 这份表格并发邮件到approved-manufacturers@chemwhat.com

其他供应商

Watson International Limited 访问Watson官网

如需其他帮助，请联系我们

联系我们获取其它信息或服务 点击这里联系凯望