1-Benzyl-1,3,5-triazinane-2,4,6-trione

Base Information

• Chemical Name: 1-Benzyl-1,3,5-triazinane-2,4,6-trione
• CAS No.: 23097-87-2
• Molecular Formula: C10H9N3O3
• Molecular Weight: 219.2
• DSSTox Substance ID: DTXSID10543317
• Nikkaji Number: J1.468.578B
• Wikidata: Q82420156
• Mol file: 23097-87-2.mol

Synonyms:1-Benzyl-1,3,5-triazinane-2,4,6-trione;23097-87-2;SCHEMBL2337883;DTXSID10543317

Chemical Property of 1-Benzyl-1,3,5-triazinane-2,4,6-trione

Chemical Property:

• PSA: 88.24000
• LogP: 0.09780
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.06439116
• Heavy Atom Count: 16
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=O)NC(=O)NC2=O

Technology Process of 1-Benzyl-1,3,5-triazinane-2,4,6-trione

There total 10 articles about 1-Benzyl-1,3,5-triazinane-2,4,6-trione 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: 95.0%

3-Phenyl-1-propanol (122-97-4) + 2,4,6-tris(benzyloxy)-1,3,5-triazine (7285-83-8) → 1-benzyloxy-3-phenylpropane (70770-06-8) + 1-benzyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (23097-87-2)

Guidance literature:

With trifluorormethanesulfonic acid; In 1,4-dioxane; at 20 ℃; for 3.5h; Molecular sieve;

DOI:10.1021/acs.joc.5b02059

Reference yield: 85.0%

3-Phenyl-1-propanol (122-97-4) + 4,6-bis(benzyloxy)-1,3,5-triazin-2(1H)-one → 1-benzyloxy-3-phenylpropane (70770-06-8) + 1-benzyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (23097-87-2) + N,N′-dibenzylisocyanuric acid (21742-97-2)

Guidance literature:

With trifluorormethanesulfonic acid; In 1,4-dioxane; at 20 ℃; for 3h; Molecular sieve;

DOI:10.1021/acs.joc.5b02059

Reference yield: 32.0%

2,4,6-tris(benzyloxy)-1,3,5-triazine (7285-83-8) + Cyclohexanecarboxylic acid (98-89-5) → benzyl cyclohexanecarboxylate (22733-94-4) + 1-benzyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (23097-87-2) + N,N′-dibenzylisocyanuric acid (21742-97-2)

Guidance literature:

With trifluorormethanesulfonic acid; In 1,4-dioxane; at 20 ℃; Molecular sieve;

DOI:10.1002/ejoc.201501172

upstream raw materials:

N-Benzylbiuret

Diethyl carbonate

cyanuric acid

benzyl chloride

Downstream raw materials:

1-benzyl-3,5-bis(3-hydroxypropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione

1-benzyl-3,5-bis(2-bromoethyl)-1,3,5-triazine-2(1H),4(3H),6(5H)-trione

1-benzyl-3,5-bis(2-chloroethyl)-1,3,5-triazine-2(1H),4(3H),6(5H)-trione

1-benzyl-3,5-bis(3-mercaptoacetoxypropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione