Dibenzyl benzylpropanedioate

Base Information

• Chemical Name: Dibenzyl benzylpropanedioate
• CAS No.: 121191-42-2
• Molecular Formula: C24H22O4
• Molecular Weight: 374.436
• DSSTox Substance ID: DTXSID50561454
• Nikkaji Number: J2.356.651F
• Wikidata: Q82445277
• Mol file: 121191-42-2.mol

Synonyms:Dibenzyl benzylpropanedioate;121191-42-2;SCHEMBL1555297;DTXSID50561454

Chemical Property of Dibenzyl benzylpropanedioate

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 374.15180918
• Heavy Atom Count: 28
• Complexity: 437

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Technology Process of Dibenzyl benzylpropanedioate

There total 9 articles about Dibenzyl benzylpropanedioate 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: 86.0%

malonic acid dibenzyl ester (15014-25-2) + benzyl bromide (100-39-0) → dibenzyl 2-benzylmalonate (121191-42-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 45 ℃; for 6h; Inert atmosphere;

DOI:10.1246/cl.2012.976

Reference yield: 78.0%

malonic acid dibenzyl ester (15014-25-2) + benzyl alcohol (100-51-6,185532-71-2) → dibenzyl 2-benzylmalonate (121191-42-2)

Guidance literature:

With carbonyl(dihydrido)tris(triphenylphosphine)ruthenium(II); piperdinium acetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; for 4h; Reflux;

DOI:10.15227/orgsyn.086.0028

Reference yield: 70.0%

Phenyl methylene propanedioic acid dibenzyl ester (7324-91-6) → dibenzyl 2-benzylmalonate (121191-42-2)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; caesium carbonate; benzyl alcohol; bis(1,5-cyclooctadiene)diiridium(I) dichloride; In toluene; at 150 ℃; for 24h;

DOI:10.1039/b511053j

upstream raw materials:

malonic acid dibenzyl ester

benzyl bromide

2-benzyl-malonic acid dimethyl ester

benzyl alcohol

Downstream raw materials:

benzyl (5S)-2-benzyl-2-(benzyloxycarbonyl)-5,9-bis<(tert-butyloxycarbonyl)amino>-4-oxononanoate

benzyl (5R)-2-benzyl-2-(benzyloxycarbonyl)-5-<(tert-butyloxycarbonyl)amino>-7-methyl-4-oxooctanoate

benzyl (5S)-2-benzyl-2-(benzyloxycarbonyl)-5-<(tert-butyloxycarbonyl)amino>-7-methyl-4-oxooctanoate