Benzoic acid, 3-[[3-[[3-iodo-2-methoxy-5-(methoxycarbonyl)phenyl]methyl]-2-methoxy- 5-(methoxycarbonyl)phenyl]methyl]-4-methoxy-5-[[2-methoxy-5-(methoxy carbonyl)-3-methylphenyl]methyl]-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 3-[[3-[[3-iodo-2-methoxy-5-(methoxycarbonyl)phenyl]methyl]-2-methoxy- 5-(methoxycarbonyl)phenyl]methyl]-4-methoxy-5-[[2-methoxy-5-(methoxy carbonyl)-3-methylphenyl]methyl]-, methyl ester
• CAS No.: 192698-78-5
• Molecular Formula: C40H41IO12
• Molecular Weight: 840.663
• Mol file: 192698-78-5.mol

Synonyms:

Chemical Property of Benzoic acid, 3-[[3-[[3-iodo-2-methoxy-5-(methoxycarbonyl)phenyl]methyl]-2-methoxy- 5-(methoxycarbonyl)phenyl]methyl]-4-methoxy-5-[[2-methoxy-5-(methoxy carbonyl)-3-methylphenyl]methyl]-, methyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzoic acid, 3-[[3-[[3-iodo-2-methoxy-5-(methoxycarbonyl)phenyl]methyl]-2-methoxy- 5-(methoxycarbonyl)phenyl]methyl]-4-methoxy-5-[[2-methoxy-5-(methoxy carbonyl)-3-methylphenyl]methyl]-, methyl ester

There total 3 articles about Benzoic acid, 3-[[3-[[3-iodo-2-methoxy-5-(methoxycarbonyl)phenyl]methyl]-2-methoxy- 5-(methoxycarbonyl)phenyl]methyl]-4-methoxy-5-[[2-methoxy-5-(methoxy carbonyl)-3-methylphenyl]methyl]-, methyl ester 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: 95.0%

3-iodo-4-hydroxy-5-(2-methoxy-4-(methoxycarbonyl)-3-{2-methoxy-4-(methoxycarbonyl)-3-[3-(methoxycarbonyl)-5-methylbenzyl]benzyl}benzyl)benzoic acid methyl ester (192698-77-4) + methyl iodide (74-88-4) → 3-iodo-4-methoxy-5-(2-methoxy-4-(methoxycarbonyl)-3-{2-methoxy-4-(methoxycarbonyl)-3-[3-(methoxycarbonyl)-5-methylbenzyl]benzyl}benzyl)benzoic acid methyl ester (192698-78-5)

Guidance literature:

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; sodium hydride; In tetrahydrofuran; -15 deg C to rt;

DOI:10.1021/jo970596h

Reference yield:

C39H40O12 → 3-iodo-4-methoxy-5-(2-methoxy-4-(methoxycarbonyl)-3-{2-methoxy-4-(methoxycarbonyl)-3-[3-(methoxycarbonyl)-5-methylbenzyl]benzyl}benzyl)benzoic acid methyl ester (192698-78-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / morpholine, I₂ / CH₂Cl₂ / 3 h / 10 deg C to rt

2: 95 percent / NaH, DMPU / tetrahydrofuran / -15 deg C to rt

With morpholine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; iodine; sodium hydride; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jo970596h

Reference yield:

4-[(2-methoxyethoxy)methoxy]-3-(2-methoxy-4-(methoxycarbonyl)-3-{2-methoxy-4-(methoxycarbonyl)-3-[3-(methoxycarbonyl)-5-methylbenzyl]benzyl}benzyl)benzoic acid methyl ester (192698-76-3) → 3-iodo-4-methoxy-5-(2-methoxy-4-(methoxycarbonyl)-3-{2-methoxy-4-(methoxycarbonyl)-3-[3-(methoxycarbonyl)-5-methylbenzyl]benzyl}benzyl)benzoic acid methyl ester (192698-78-5)

Guidance literature:

Multi-step reaction with 3 steps

1: conc. H₂SO₄ / methanol / 2 h / 60 °C

2: 84 percent / morpholine, I₂ / CH₂Cl₂ / 3 h / 10 deg C to rt

3: 95 percent / NaH, DMPU / tetrahydrofuran / -15 deg C to rt

With morpholine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; sulfuric acid; iodine; sodium hydride; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1021/jo970596h

upstream raw materials:

3-iodo-4-hydroxy-5-(2-methoxy-4-(methoxycarbonyl)-3-{2-methoxy-4-(methoxycarbonyl)-3-[3-(methoxycarbonyl)-5-methylbenzyl]benzyl}benzyl)benzoic acid methyl ester

methyl iodide

4-[(2-methoxyethoxy)methoxy]-3-(2-methoxy-4-(methoxycarbonyl)-3-{2-methoxy-4-(methoxycarbonyl)-3-[3-(methoxycarbonyl)-5-methylbenzyl]benzyl}benzyl)benzoic acid methyl ester