methyl 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate

Base Information

• Chemical Name: methyl 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
• CAS No.: 19792-68-8
• Molecular Formula: C35H40 N4 O6
• Molecular Weight: 612.726
• Nikkaji Number: J2.001.724D,J330.819G
• Mol file: 19792-68-8.mol

Synonyms:bilirubin dimethyl diester;bilirubin dimethyl ester;dimethyl bilirubin

Chemical Property of methyl 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate

Chemical Property:

• Vapor Pressure: 3.11E-29mmHg at 25°C
• Melting Point: 201-202 °C
• Refractive Index: 1.671
• Boiling Point: 850.7°Cat760mmHg
• PKA: 12.55±0.60(Predicted)
• Flash Point: 468.3°C
• PSA: 142.38000
• Density: 1.286g/cm³
• LogP: 5.36560
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 612.29478501
• Heavy Atom Count: 45
• Complexity: 1370

Purity/Quality:

98%Min ^*data from raw suppliers

BILIRUBIN DIMETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC(=C1CCC(=O)OC)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)OC)C=C4C(=C(C(=O)N4)C=C)C
• Isomeric SMILES: CC1=C(NC(=C1CCC(=O)OC)CC2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)OC)/C=C\4/C(=C(C(=O)N4)C=C)C

Technology Process of methyl 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate

There total 22 articles about methyl 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate 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: 90.0%

bilirubin-IXα bis-tetra-n-butylammonium salt (75494-87-0,107440-18-6) + methyl iodide (74-88-4) → 3-{2-{3-(2-Methoxycarbonyl-ethyl)-4-methyl-5-[4-methyl-5-oxo-3-vinyl-1,5-dihydro-pyrrol-(2Z)-ylidenemethyl]-1H-pyrrol-2-ylmethyl}-4-methyl-5-[3-methyl-5-oxo-4-vinyl-1,5-dihydro-pyrrol-(2Z)-ylidenemethyl]-1H-pyrrol-3-yl}-propionic acid (72738-52-4) + 3-{2-{3-(2-Methoxycarbonyl-ethyl)-4-methyl-5-[3-methyl-5-oxo-4-vinyl-1,5-dihydro-pyrrol-(2Z)-ylidenemethyl]-1H-pyrrol-2-ylmethyl}-4-methyl-5-[4-methyl-5-oxo-3-vinyl-1,5-dihydro-pyrrol-(2Z)-ylidenemethyl]-1H-pyrrol-3-yl}-propionic acid (72738-53-5) + bilirubin dimethylester (19792-68-8)

Guidance literature:

In acetone; for 24h; Yields of byproduct given; Ambient temperature; in the dark;

DOI:10.1016/S0040-4039(00)95907-0

Reference yield: 3.0%

bilirubin-IXα bis-tetra-n-butylammonium salt (75494-87-0,107440-18-6) + methyl p-toluene sulfonate (80-48-8) → 3-{2-{3-(2-Methoxycarbonyl-ethyl)-4-methyl-5-[4-methyl-5-oxo-3-vinyl-1,5-dihydro-pyrrol-(2Z)-ylidenemethyl]-1H-pyrrol-2-ylmethyl}-4-methyl-5-[3-methyl-5-oxo-4-vinyl-1,5-dihydro-pyrrol-(2Z)-ylidenemethyl]-1H-pyrrol-3-yl}-propionic acid (72738-52-4) + 3-{2-{3-(2-Methoxycarbonyl-ethyl)-4-methyl-5-[3-methyl-5-oxo-4-vinyl-1,5-dihydro-pyrrol-(2Z)-ylidenemethyl]-1H-pyrrol-2-ylmethyl}-4-methyl-5-[4-methyl-5-oxo-3-vinyl-1,5-dihydro-pyrrol-(2Z)-ylidenemethyl]-1H-pyrrol-3-yl}-propionic acid (72738-53-5) + bilirubin dimethylester (19792-68-8)

Guidance literature:

In acetone; Yields of byproduct given; Ambient temperature; in the dark;

DOI:10.1016/S0040-4039(00)95907-0

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + bilirubin (635-65-4,114-24-9) → bilirubin dimethylester (19792-68-8)

Guidance literature:

upstream raw materials:

diazomethane

bilirubin

C₃₇H₄₄N₄O₇S

bilirubin-IXα bis-tetra-n-butylammonium salt

Downstream raw materials:

Biliverdin-XIIIα-dimethyl ester

2,18-(1',4'-dimethoxybutane-1',4'-diyl)-8,12-bis(2''-methoxycarbonylethyl)-3,7,13,17-tetramethyl-1,19-(21H,24H)-bilindione

α-biliverdin-IX dimethyl ester

bilirubin dimethyl ester

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