3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester

Base Information

Chemical Name:3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester
CAS No.:121497-22-1
Molecular Formula:C33H33 N3 O8
Molecular Weight:599.6304
Hs Code.:
ChEMBL ID:CHEMBL307713

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester

Synonyms:BRN 6554447;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester;121497-22-1;CHEMBL307713;C33H33N3O8;C33-H33-N3-O8;LS-131327

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Chemical Property of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester

Chemical Property:

Vapor Pressure:7.43E-23mmHg at 25°C
Boiling Point:743.4°Cat760mmHg
Flash Point:403.4°C
Density:1.38g/cm³
XLogP3:4.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:599.22676502
Heavy Atom Count:44
Complexity:1090

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC3=C(C=C2)N=C(N3CC4=CC(=C(C=C4)O)OC)C5=CC(=C(C=C5)O)OC)C(=O)OC

Technology Process of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl ester

There total 4 articles about 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-hydroxy-3-methoxyphenyl)-1-((4-hydroxy-3-methoxyphenyl)methyl)-1H-benzimidazol-6-yl)-2,6-dimethyl-, dimethyl 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: 58.0%

: 121-33-5,8014-42-4
vanillin

: 121497-15-2
4-(3,4-diaminophenyl)-2,6-dimethyl-3,5-bis(methoxycarbonyl)-1,4-dihydropyridine

: 121497-22-1
4-[3-(4-Hydroxy-3-methoxy-benzyl)-2-(4-hydroxy-3-methoxy-phenyl)-3H-benzoimidazol-5-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester

Guidance literature:: In acetic acid; for 4h; water bath;
DOI:10.1021/jm00130a012

Reference yield:

: 51818-99-6
4-amino-3-nitro-benzaldehyde

: 121497-22-1
4-[3-(4-Hydroxy-3-methoxy-benzyl)-2-(4-hydroxy-3-methoxy-phenyl)-3H-benzoimidazol-5-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 68 percent / ethane-1,2-diol / 24 h / Heating

2: 72 percent / H₂ / Raney Ni / methanol / 2 h / 1838.8 Torr

3: 58 percent / acetic acid / 4 h / water bath

With hydrogen; nickel; In methanol; ethylene glycol; acetic acid;
DOI:10.1021/jm00130a012

Reference yield:

: 121497-08-3
4-(4-Amino-3-nitro-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester

: 121497-22-1
4-[3-(4-Hydroxy-3-methoxy-benzyl)-2-(4-hydroxy-3-methoxy-phenyl)-3H-benzoimidazol-5-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / H₂ / Raney Ni / methanol / 2 h / 1838.8 Torr

2: 58 percent / acetic acid / 4 h / water bath

With hydrogen; nickel; In methanol; acetic acid;
DOI:10.1021/jm00130a012