Harderoporphyrin

Base Information

• Chemical Name: Harderoporphyrin
• CAS No.: 30783-27-8
• Molecular Formula: C₃₅H₃₆N₄O₆
• Molecular Weight: 608.694
• Nikkaji Number: J19.890K
• Mol file: 30783-27-8.mol

Synonyms:harderoporphyrin

Chemical Property of Harderoporphyrin

Chemical Property:

• Boiling Point: 1191.2°Cat760mmHg
• Flash Point: 674.2°C
• PSA: 168.20000
• Density: 1.32g/cm³
• LogP: 3.71940
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 608.26348488
• Heavy Atom Count: 45
• Complexity: 1090

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)CCC(=O)O)C)C=C)C)C(=C3CCC(=O)O)C)CCC(=O)O

Technology Process of Harderoporphyrin

There total 14 articles about Harderoporphyrin 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:

3-{5-Formyl-2-[5-formyl-3-(2-methoxycarbonyl-ethyl)-4-methyl-1H-pyrrol-2-ylmethyl]-4-methyl-1H-pyrrol-3-yl}-propionic acid methyl ester (4792-10-3) → 3-vinyl-2,7,12,18-tetramethylporphyrin-8,13,17-tripropionic acid (30783-27-8)

Guidance literature:

Multi-step reaction with 4 steps

1.1: toluene-4-sulfonic acid / dichloromethane / 16 h / 20 °C / Darkness

1.2: 10 h

1.3: 14 h / Darkness

2.1: zinc diacetate / methanol; dichloromethane / 2 h / Darkness

3.1: potassium tert-butylate / tetrahydrofuran; tert-butyl alcohol / 72 h / Darkness

3.2: 14 h / Darkness

4.1: hydrogenchloride; water / 6 h / 20 °C

With hydrogenchloride; potassium tert-butylate; zinc diacetate; water; toluene-4-sulfonic acid; In tetrahydrofuran; methanol; dichloromethane; tert-butyl alcohol;

DOI:10.1515/BC.2010.006

Reference yield:

coproporphyrinogen III (2624-63-7) → 3-vinyl-2,7,12,18-tetramethylporphyrin-8,13,17-tripropionic acid (30783-27-8) + protoporphyrin IX (553-12-8) + coproporphyrin-III (14643-66-4)

Guidance literature:

coproporphyrinogen III; With recombinant oxygen-independent coproporphyrinogen III oxidase; S-Adenosyl-L-methionine; NADH; D,L-dithiothreitol; at 37 ℃; for 0.5h; pH=7; Inert atmosphere; Bis-Tris buffer; Enzymatic reaction;

With dihydrogen peroxide; for 0.25h; Bis-Tris buffer;

DOI:10.1515/BC.2010.006

Reference yield:

coproporphyrinogen III (2624-63-7) → 3-vinyl-2,7,12,18-tetramethylporphyrin-8,13,17-tripropionic acid (30783-27-8)

Guidance literature:

Multi-step reaction with 2 steps

1: S-adenosyl-L-methionine; sodium dithionite; anaerobic coproporphyrinogen III oxidase / 6 h / Enzymatic reaction

2: dihydrogen peroxide

With sodium dithionite; anaerobic coproporphyrinogen III oxidase; S-adenosyl-L-methionine; dihydrogen peroxide;

DOI:10.1002/anie.201814708

upstream raw materials:

8,13,17-tris(2-methoxycarbonylethyl)-2,7,12,18-tetramethyl-3-vinylporphyrin

harderoporphyrinogen-III

3-(2-chloroethyl)-8,13,17-tris(2-methoxycarbonylethyl)-2,7,12,18-tetramethylporphyrin

coproporphyrinogen III