1,3-Dibenzyl-2-oxoimidazolidine-4alpha,5alpha-bismethanol

Base Information

• Chemical Name: 1,3-Dibenzyl-2-oxoimidazolidine-4alpha,5alpha-bismethanol
• CAS No.: 56198-32-4
• Molecular Formula: C19H22N2O3
• Molecular Weight: 326.395
• DSSTox Substance ID: DTXSID80446225
• Nikkaji Number: J1.547.018F
• Wikidata: Q82264824
• Mol file: 56198-32-4.mol

Synonyms:CTK1E2078;56198-32-4;1,3-Dibenzyl-2-oxoimidazolidine-4alpha,5alpha-bismethanol;DTXSID80446225;1,3-dibenzyl-cis-4,5-di(hydroxymethyl)imidazolidone

Chemical Property of 1,3-Dibenzyl-2-oxoimidazolidine-4alpha,5alpha-bismethanol

Chemical Property:

• PSA: 64.01000
• LogP: 1.72200
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 326.16304257
• Heavy Atom Count: 24
• Complexity: 369

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(C(N(C2=O)CC3=CC=CC=C3)CO)CO
• Isomeric SMILES: C1=CC=C(C=C1)CN2[C@@H]([C@@H](N(C2=O)CC3=CC=CC=C3)CO)CO

Technology Process of 1,3-Dibenzyl-2-oxoimidazolidine-4alpha,5alpha-bismethanol

There total 4 articles about 1,3-Dibenzyl-2-oxoimidazolidine-4alpha,5alpha-bismethanol 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: 98.0%

(3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione (28092-62-8) → cis-1,3-dibenzyl-4,5-dihydroxymethyl-imidazolidin-2-one (56198-32-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1016/S0040-4020(99)01022-4

Reference yield: 94.0%

dimethyl cis-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate (56198-73-3) → cis-1,3-dibenzyl-4,5-dihydroxymethyl-imidazolidin-2-one (56198-32-4)

Guidance literature:

With sodium tetrahydroborate; In acetic acid; at 0 ℃; Reflux;

DOI:10.1016/j.molcatb.2013.09.014

Reference yield: 92.0%

cis-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid (51591-75-4,634188-82-2) → cis-1,3-dibenzyl-4,5-dihydroxymethyl-imidazolidin-2-one (56198-32-4)

Guidance literature:

With potassium borohydride; zinc(II) chloride; In tetrahydrofuran; for 10h; Heating;

upstream raw materials:

(3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione

cis-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid

dimethyl cis-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate

Downstream raw materials:

1,3-dibenzyl-4,5-cis-bis(chloromethyl)-2-imidazolidone

Acetic acid (4S,5R)-5-acetoxymethyl-1,3-dibenzyl-2-oxo-imidazolidin-4-ylmethyl ester

Acetic acid (4S,5R)-1,3-dibenzyl-5-hydroxymethyl-2-oxo-imidazolidin-4-ylmethyl ester

(3aS,6aR)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione