(5E)-1-benzyl-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;hydrate

Base Information

• Chemical Name: (5E)-1-benzyl-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;hydrate
• CAS No.: 5310-93-0
• Molecular Formula: C9H11 Cl N2 O
• Molecular Weight: 198.652
• DSSTox Substance ID: DTXSID50416314
• Mol file: 5310-93-0.mol

Synonyms:(5E)-1-benzyl-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;hydrate;AC1NSCQV;DTXSID50416314;SR-01000204020;SR-01000204020-1

Chemical Property of (5E)-1-benzyl-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;hydrate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 356.10083623
• Heavy Atom Count: 26
• Complexity: 582

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)CN2C(=O)C(=CC3=CC(=C(C=C3)O)O)C(=O)NC2=O.O
• Isomeric SMILES: C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/C(=O)NC2=O.O

Technology Process of (5E)-1-benzyl-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;hydrate

There total 3 articles about (5E)-1-benzyl-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;hydrate 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: 39.0%

3-(4-chlorophenyl)-1-(4-tolyl)-1-nitrosourea (84784-24-7) + ethyl isocyanate (109-90-0) → 1-(4-chlorophenyl)-3-ethylurea (5310-93-0)

Guidance literature:

In benzene; for 1h; Heating;

DOI:10.1248/cpb.30.3466

Reference yield:

4-chloro-aniline (106-47-8) + ethyl isocyanate (109-90-0) → 1-(4-chlorophenyl)-3-ethylurea (5310-93-0)

Guidance literature:

With diethyl ether;

Reference yield:

→ 1-(4-chlorophenyl)-3-ethylurea (5310-93-0)

Guidance literature:

N-Chlor-aethylamin, Phenylisocyanat;

upstream raw materials:

4-chloro-aniline

ethyl isocyanate

3-(4-chlorophenyl)-1-(4-tolyl)-1-nitrosourea

Downstream raw materials:

N-ethyl-N'-(4-chloro-2,6-dinitro-phenyl)-N-nitro-urea

C₁₆H₂₁ClN₂O₃

4-chloro-2,6-dinitroaniline

N-(4-chloro-2,6-dinitrophenyl)carbamate

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