Pyrromethane cofactor

Base Information

• Chemical Name: Pyrromethane cofactor
• CAS No.: 29261-13-0
• Molecular Formula: C₂₀H₂₅N₃O₈
• Molecular Weight: 435.434
• DSSTox Substance ID: DTXSID50183514
• Wikidata: Q83054316
• Mol file: 29261-13-0.mol

Synonyms:dipyrromethane cofactor;pyrromethane cofactor

Chemical Property of Pyrromethane cofactor

Chemical Property:

• Vapor Pressure: 2.78E-23mmHg at 25°C
• Boiling Point: 744.6°Cat760mmHg
• Flash Point: 404.1°C
• PSA: 206.80000
• Density: 1.51g/cm³
• LogP: 1.38120
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 435.16416476
• Heavy Atom Count: 31
• Complexity: 673

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(N1)CC2=C(C(=C(N2)CN)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O

Technology Process of Pyrromethane cofactor

There total 2 articles about Pyrromethane cofactor 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-{2-[4-(2-methoxycarbonyl-ethyl)-3-methoxycarbonylmethyl-pyrrol-2-ylmethyl]-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-yl}-propionic acid methyl ester (32615-45-5) → 3,3'-(5-aminomethyl-4,4'-bis-carboxymethyl-2,5'-methanediyl-di-pyrrol-3-yl)-bis-propionic acid (29261-13-0)

Guidance literature:

With potassium hydroxide; water;

DOI:10.1039/a904262h

Reference yield:

→ 3,3'-(5-aminomethyl-4,4'-bis-carboxymethyl-2,5'-methanediyl-di-pyrrol-3-yl)-bis-propionic acid (29261-13-0)

Guidance literature:

Lactam (27) (Hydrolyse).;

Reference yield:

(R)-α-Hydroxybenzolethanimidsaeure-methylester, Hydrochlorid (87218-38-0) + 3,3'-(5-aminomethyl-4,4'-bis-carboxymethyl-2,5'-methanediyl-di-pyrrol-3-yl)-bis-propionic acid (29261-13-0) → 3-(2-[4-(2-carboxy-ethyl)-3-carboxymethyl-1H-pyrrol-2-ylmethyl]-4-carboxymethyl-5-{[(2-hydroxy-2-phenyl-acetimidoyl)-amino]-methyl}-1H-pyrrol-3-yl)-propionic acid

Guidance literature:

With water; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h; pH=9.4;

DOI:10.1039/a904262h

upstream raw materials:

3-{2-[4-(2-methoxycarbonyl-ethyl)-3-methoxycarbonylmethyl-pyrrol-2-ylmethyl]-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridin-3-yl}-propionic acid methyl ester

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