4-(3,4-Dihydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

Base Information

• Chemical Name: 4-(3,4-Dihydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
• CAS No.: 5985-95-5
• Molecular Formula: C18H17N3O3S
• Molecular Weight: 328.371
• DSSTox Substance ID: DTXSID00387065
• Mol file: 5985-95-5.mol

Synonyms:5985-95-5;4-(3,4-Dihydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide;CBMicro_040050;MixCom6_002034;Oprea1_869418;DTXSID00387065;AKOS000623779;AKOS024298781;BIM-0040078.P001;L-erythro-Pentosulose, bis(phenylhydrazone);L-erythro-Pentos-2-ulose, bis(phenylhydrazone);AK-968/12264015;Z274502474

Chemical Property of 4-(3,4-Dihydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

Chemical Property:

• Density: 1.46g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 355.09906259
• Heavy Atom Count: 25
• Complexity: 560

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)O)C(=O)NC3=CC=CC=C3

Technology Process of 4-(3,4-Dihydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

There total 2 articles about 4-(3,4-Dihydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide 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:

L-ribulose (2042-27-5) + phenylhydrazine (100-63-0) → L-erythro-[2]pentosulose-bis-phenylhydrazone (5985-95-5)

Guidance literature:

DOI:10.1002/hlca.193401701125

Reference yield:

→ L-erythro-[2]pentosulose-bis-phenylhydrazone (5985-95-5)

Guidance literature:

Phytosterolin I, 1.) 1percentig. H2SO4/Me., Hydroylse, 2.) Ueberfuehrung in das Osazon;

Reference yield: 70.0%

acetic anhydride (108-24-7) + L-erythro-[2]pentosulose-bis-phenylhydrazone (5985-95-5) → 3,4,5-tri-O-acetyl-L-erythro-pentosulose 1,2-bis(phenylhydrazone) (80496-84-0)

Guidance literature:

With pyridine;

DOI:10.1016/S0008-6215(00)90424-5

upstream raw materials:

L-ribulose

phenylhydrazine

Downstream raw materials:

L-erythro-3,4,5-Trihydroxy-2-oxo-valeraldehyd

3,4,5-tri-O-acetyl-L-erythro-pentosulose 1,2-bis(phenylhydrazone)

Acetic acid (R)-3-(acetyl-phenyl-hydrazono)-1-((S)-1,2-diacetoxy-ethyl)-2-(phenyl-hydrazono)-propyl ester

Acetic acid (R)-2,3-bis-(acetyl-phenyl-hydrazono)-1-((S)-1,2-diacetoxy-ethyl)-propyl ester