Coproporphyrin III dihydrochloride

Base Information

• Chemical Name: Coproporphyrin III dihydrochloride
• CAS No.: 14643-66-4
• Molecular Formula: C36H38N4O8
• Molecular Weight: 654.72
• European Community (EC) Number: 849-679-2
• Mol file: 14643-66-4.mol

Synonyms:COPROPORPHYRIN III DIHYDROCHLORIDE;J-008221;Coproporphyrin III dihydrochloride is known as a porphyrin derivative.

Chemical Property of Coproporphyrin III dihydrochloride

Chemical Property:

• Appearance/Colour: purple xtl
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.638
• Boiling Point: 1258 °C at 760 mmHg
• Flash Point: 714.6 °C
• PSA: 205.50000
• Density: 1.366 g/cm³
• LogP: 4.69760
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly, Sonicated), Methanol (Slightly)
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 726.2223196
• Heavy Atom Count: 50
• Complexity: 1310

Purity/Quality:

98%Min ^*data from raw suppliers

Coproporphyrin III dihydrochloride ^*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(N3)C=C4C(=C(C(=[NH+]4)C=C5C(=C(C(=[NH+]5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O.[Cl-].[Cl-]
• Uses: Coproporphyrin III can be used as a biomarker for environmental toxicity and susceptibility in autism.

Technology Process of Coproporphyrin III dihydrochloride

There total 14 articles about Coproporphyrin III dihydrochloride 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: 10.6%

5-methoxy-3-(2-methoxyacetyl)levulinic acid (1266113-13-6) + 1,5-dimethoxy-3-methyl-2,4-pentanedione (130895-64-6) → C13H19NO5 + coproporphyrin-III (14643-66-4) + coproporphyrin I (531-14-6)

Guidance literature:

at 60 ℃; for 24h; pH=7; anaerobic conditions;

DOI:10.1039/c0nj00716a

Reference yield:

3-(2-hydroxymethyl-4-methyl-1H-pyrrol-3-yl)-propionic acid (872535-45-0) → coproporphyrin III (14643-66-4) + coproporphyrin I (531-14-6)

Guidance literature:

3-(2-hydroxymethyl-4-methyl-1H-pyrrol-3-yl)-propionic acid; With Uro'gen III synthase; potassium chloride; magnesium chloride; In various solvent(s); at 37 ℃; pH=7.5 - 8.0; Enzymatic reaction;

With oxygen; In various solvent(s); at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.10.063

Reference yield:

C20H25N3O8*H(1+) → coproporphyrin-II (3082-03-9) + coproporphyrin lV (18372-11-7) + coproporphyrin-III (14643-66-4) + coproporphyrin I (531-14-6)

Guidance literature:

With hydrogenchloride; phosphate buffer; deaminase-cosynthetase from Euglena gracilis; Mechanism; Product distribution; multistep reaction; other products ratio with enzyme solution which had been heated (96 deg C, 5 min); labelling experiments; mechanism of biosynthesis of uroporphyrinogens;

DOI:10.1039/P19810002779

upstream raw materials:

[5-bromo-3-(2-carboxy-ethyl)-4-methyl-pyrrol-2-yl]-[5-bromo-3-(2-carboxy-ethyl)-4-methyl-pyrrol-2-ylidene]-methane; hydrobromide

[5-bromo-3-(2-carboxy-ethyl)-4-methyl-pyrrol-2-yl]-[4-(2-carboxy-ethyl)-3,5-dimethyl-pyrrol-2-ylidene]-methane; hydrobromide

3-(2-hydroxymethyl-4-methyl-1H-pyrrol-3-yl)-propionic acid

3-(2-FORMYL-4-METHYL-1H-PYRROL-3-YL)-PROPIONIC ACID

Downstream raw materials:

coproporphyrinogen III

3-vinyl-2,7,12,18-tetramethylporphyrin-8,13,17-tripropionic acid

protoporphyrin IX