5-[(2-Phenylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Base Information

• Chemical Name: 5-[(2-Phenylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS No.: 5628-45-5
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.219
• DSSTox Substance ID: DTXSID50416995
• Mol file: 5628-45-5.mol

Synonyms:5-[(2-phenylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;5628-45-5;6-hydroxy-5-[(2-phenylphenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one;CBMicro_026693;DTXSID50416995;BIM-0026605.P001;SR-01000215243;SR-01000215243-1

Chemical Property of 5-[(2-Phenylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 109.30000
• Density: 1.41g/cm³
• LogP: 2.80510
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 323.07284784
• Heavy Atom Count: 23
• Complexity: 538

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=CC=C2N=CC3=C(NC(=S)NC3=O)O

Technology Process of 5-[(2-Phenylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

There total 7 articles about 5-[(2-Phenylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 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:

4-Nitro-2,3-dimethyl-benzoesaeure-methylester (90922-70-6) → 4-Amino-2,3-dimethyl-benzoesaeure-methylester (5628-45-5)

Guidance literature:

With hydrogenchloride; acetic acid; tin(ll) chloride;

Reference yield:

2,3-dimethyl-4-nitrobenzonitrile (52962-97-7) → 4-Amino-2,3-dimethyl-benzoesaeure-methylester (5628-45-5)

Guidance literature:

Multi-step reaction with 4 steps

1: H₂SO₄

2: H₂SO₄, aq. NaNO₂

3: H₂SO₄ / Heating

4: SnCl₂, aq. HCl, AcOH

With hydrogenchloride; sulfuric acid; acetic acid; tin(ll) chloride; sodium nitrite;

Reference yield:

4-Nitro-2,3-dimethyl-benzamid (90557-85-0) → 4-Amino-2,3-dimethyl-benzoesaeure-methylester (5628-45-5)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂SO₄, aq. NaNO₂

2: H₂SO₄ / Heating

3: SnCl₂, aq. HCl, AcOH

With hydrogenchloride; sulfuric acid; acetic acid; tin(ll) chloride; sodium nitrite;

upstream raw materials:

4-Nitro-2,3-dimethyl-benzoesaeure-methylester

2,3-dimethyl-4-nitrobenzonitrile

4-Nitro-2,3-dimethyl-benzamid

4-Nitro-2,3-dimethyl-benzoesaeure

Downstream raw materials:

4-methoxy-2,3-dimethyl-benzoic acid

4-Methoxy-2,3-dimethyl-benzoesaeure-methylester

2,3-dimethyl-4-propionylamino-benzoic acid

methyl 2,3-dimethyl-4-propionylaminobenzoate