CID 11967866

Base Information

• Chemical Name: CID 11967866
• CAS No.: 14494-37-2
• Molecular Formula: C₃₄H₃₂CuN₄O₄
• Molecular Weight: 624.198
• NSC Number: 17450
• Mol file: 14494-37-2.mol

Synonyms:NSC17450;NSC-17450

Chemical Property of CID 11967866

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 623.171953
• Heavy Atom Count: 43
• Complexity: 1390

Purity/Quality:

98.5% ^*data from raw suppliers

CU(II)ProtoporphyrinIX 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=C(C(=C([N-]5)C=C1[N-]2)C=C)C)[N-]4)C=C)C)C)CCC(=O)O)CCC(=O)O.[Cu]
• Isomeric SMILES: CC\1=C(/C/2=C/C3=C(C(=C([N-]3)/C=C\4/C(=C(/C(=C/C5=C(C(=C([N-]5)/C=C1\[N-]2)C=C)C)/[N-]4)C=C)C)C)CCC(=O)O)CCC(=O)O.[Cu]
• Uses: Copper(II)-protoporphyrin IX is a biocompatible polymeric micro and nanocapsules and is used as antimalaric.

Technology Process of CID 11967866

There total 5 articles about CID 11967866 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

copper diacetate (142-71-2) + protoporphyrin IX (553-12-8) → copper protoporphyrin IX (14494-37-2)

Guidance literature:

With acetic acid; at 20 ℃; Reflux;

DOI:10.1002/ejic.201500070

Reference yield:

protoporphyrin IX (553-12-8) + copper diacetate (142-71-2) → copper protoporphyrin IX (14494-37-2)

Guidance literature:

In methanol; chloroform; addn. cupric acetate in methanol to refluxing chloroform soln. containing the porphyrin; washing with water, addn. to sodium dodecyl sulfate dissolved in methanol with some benzene, evapn.;

DOI:10.1021/ja00412a014

Reference yield:

diaquoferriprotoporphyrin IX (26025-40-1) + copper(I) → copper protoporphyrin IX (14494-37-2)

Guidance literature:

In trifluoroacetic acid; byproducts: Fe(II), Cu(II), H4PPIX; at concn. of Cu(II)>1E-2 M in 0.1 M trifluoroacetic acid, 0.2% sodium dodecyl sulfate at 23°C under argon; variation of time between 30 s-22 h; not sepd., detected by UV; Kinetics;

DOI:10.1021/ja00412a014

upstream raw materials:

diaquoferriprotoporphyrin IX

protoporphyrin IX

copper diacetate

protoporphyrin IX