Benzoyl chloride, 3,4,5-tris(phenylmethoxy)-

Base Information

• Chemical Name: Benzoyl chloride, 3,4,5-tris(phenylmethoxy)-
• CAS No.: 1486-47-1
• Molecular Formula: C28H23ClO4
• Molecular Weight: 458.941
• DSSTox Substance ID: DTXSID10447886
• Nikkaji Number: J1.248.461E
• Wikidata: Q82266784
• Mol file: 1486-47-1.mol

Synonyms:Benzoyl chloride, 3,4,5-tris(phenylmethoxy)-;1486-47-1;3,4,5-tris(phenylmethoxy)benzoyl Chloride;tribenzylgalloyl chloride;SCHEMBL514495;DTXSID10447886;3,4,5-Tris(benzyloxy)benzoyl chloride

Chemical Property of Benzoyl chloride, 3,4,5-tris(phenylmethoxy)-

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 458.1284869
• Heavy Atom Count: 33
• Complexity: 534

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC(=CC(=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)Cl

Technology Process of Benzoyl chloride, 3,4,5-tris(phenylmethoxy)-

There total 14 articles about Benzoyl chloride, 3,4,5-tris(phenylmethoxy)- 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: 100.0%

3,4,5-tribenzyloxybenzoic acid (1486-48-2) → 3,4,5-tris(benzyloxy)benzoyl chloride (1486-47-1)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In toluene; at 55 ℃;

DOI:10.1021/jm2016045

Reference yield: 97.0%

oxalyl dichloride (79-37-8) + 3,4,5-tribenzyloxybenzoic acid (1486-48-2) → 3,4,5-tris(benzyloxy)benzoyl chloride (1486-47-1)

Guidance literature:

With N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

methyl 3,4,5-tris(benzyloxy)benzoate (70424-94-1) → 3,4,5-tris(benzyloxy)benzoyl chloride (1486-47-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / aq. ethanol / 2 h / Heating

2: 78 percent / oxalyl chloride; DMF / toluene / 20 - 50 °C

With sodium hydroxide; oxalyl dichloride; N,N-dimethyl-formamide; In ethanol; toluene;

DOI:10.1021/jm060087k

upstream raw materials:

3,4,5-tribenzyloxybenzoic acid

methyl galloate

methyl 3,4,5-tris(benzyloxy)benzoate

benzyl chloride

Downstream raw materials:

octadecyl 3,4,5-tribenzyloxybenzoate

dodecyl 3,4,5-tribenzyloxybenzoate

O³,O⁵-((Ξ)-benzylidene)-O¹,O²-isopropylidene-O⁶-(3,4,5-tris-benzyloxy-benzoyl)-α-D-glucofuranose

O²,O⁴-Dibenzyl-O³-(3,4,5-tris-benzyloxy-benzoyl)-1,6-anhydro-β-D-glucopyranose