2,4(1H,3H)-Pyrimidinedione, 5-((3-(phenylmethoxy)phenyl)methyl)-

Base Information

• Chemical Name: 2,4(1H,3H)-Pyrimidinedione, 5-((3-(phenylmethoxy)phenyl)methyl)-
• CAS No.: 28495-80-9
• Molecular Formula: C18H16 N2 O3
• Molecular Weight: 308.33
• Hs Code.: 2933599090
• NSC Number: 210777
• DSSTox Substance ID: DTXSID40951183
• Nikkaji Number: J385.683F
• Wikidata: Q82929445
• Pharos Ligand ID: 32AWA4ZS57RT
• ChEMBL ID: CHEMBL127691
• Mol file: 28495-80-9.mol

Synonyms:5-(3'-benzyloxy)benzyluracil;5-benzyloxybenzyluracil

Chemical Property of 2,4(1H,3H)-Pyrimidinedione, 5-((3-(phenylmethoxy)phenyl)methyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 74.95000
• Density: 1.254g/cm³
• LogP: 2.23300
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 308.11609238
• Heavy Atom Count: 23
• Complexity: 469

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3=CNC(=O)NC3=O

Technology Process of 2,4(1H,3H)-Pyrimidinedione, 5-((3-(phenylmethoxy)phenyl)methyl)-

There total 5 articles about 2,4(1H,3H)-Pyrimidinedione, 5-((3-(phenylmethoxy)phenyl)methyl)- 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: 87.0%

5-(3-benzyloxy-benzyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one (28495-92-3) → 5-(m-(benzyloxy)benzyl)acyclouridine (28495-80-9,110522-13-9)

Guidance literature:

With acetic acid; chloroacetic acid; for 18h; Heating;

DOI:10.1021/jm00019a015

Reference yield:

3-(3-hydroxy-phenyl)propionic acid ethyl ester (34708-60-6) → 5-(m-(benzyloxy)benzyl)acyclouridine (28495-80-9,110522-13-9)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / acetone

2: 1.) LDA

3: 87 percent / 20percent aq. chloroacetic acid, AcOH / 18 h / Heating

With potassium carbonate; acetic acid; chloroacetic acid; lithium diisopropyl amide; In acetone;

DOI:10.1021/jm00019a015

Reference yield:

benzyl bromide (100-39-0) → 5-(m-(benzyloxy)benzyl)acyclouridine (28495-80-9,110522-13-9)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / acetone

2: 1.) LDA

3: 87 percent / 20percent aq. chloroacetic acid, AcOH / 18 h / Heating

With potassium carbonate; acetic acid; chloroacetic acid; lithium diisopropyl amide; In acetone;

DOI:10.1021/jm00019a015

upstream raw materials:

5-(3-benzyloxy-benzyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

3-(3-hydroxy-phenyl)propionic acid ethyl ester

ethyl 3-<3-(benzyloxy)phenyl>propanoate

benzyl bromide

Downstream raw materials:

5-(3-benzyloxybenzyl)-1-<(1'-aminomethyl-2'-hydroxyethoxy)methyl>uracil

5-benzyloxybenzyl-1-<(1'-chloromethyl-2'-hydroxyethoxy)methyl>uracil

5-benzyloxybenzyl-1-<(1'-bromomethyl-2'-hydroxyethoxy)methyl>uracil

5-benzyloxybenzyl-1-<(1'-iodomethyl-2'-hydroxyethoxy)methyl>uracil

Refernces