Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-((4-chlorophenyl)amino)-5,6-dimethyl-

Base Information

• Chemical Name: Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-((4-chlorophenyl)amino)-5,6-dimethyl-
• CAS No.: 175600-09-6
• Molecular Formula: C₁₄H₁₃ClN₄OS
• Molecular Weight: 320.802
• DSSTox Substance ID: DTXSID10170006
• Nikkaji Number: J717.900F
• Wikidata: Q83039850
• Mol file: 175600-09-6.mol

Synonyms:3-Amino-2-((4-chlorophenyl)amino)-5,6-dimethylthieno(2,3-d)pyrimidin-4(3H)-one;Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-((4-chlorophenyl)amino)-5,6-dimethyl-;175600-09-6;3-Amino-2-[(4-chlorophenyl)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one;DTXSID10170006;LS-152517

Chemical Property of Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-((4-chlorophenyl)amino)-5,6-dimethyl-

Chemical Property:

• Vapor Pressure: 3.37E-11mmHg at 25°C
• Boiling Point: 527.1°Cat760mmHg
• Flash Point: 272.6°C
• Density: 1.53g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 320.0498599
• Heavy Atom Count: 21
• Complexity: 452

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=C1C(=O)N(C(=N2)NC3=CC=C(C=C3)Cl)N)C

Technology Process of Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-((4-chlorophenyl)amino)-5,6-dimethyl-

There total 5 articles about Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-((4-chlorophenyl)amino)-5,6-dimethyl- 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: 29.0%

ethyl 2-({[(4-chlorophenyl)amino]carbonothioyl}amino)-4,5-dimethylthiophene-3-carboxylate (175599-97-0) → 3-Amino-2-(4-chloro-phenylamino)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (175600-09-6)

Guidance literature:

With hydrazine hydrate; In ethanol; for 12h; Heating;

Reference yield:

ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate (85716-85-4) → 3-Amino-2-(4-chloro-phenylamino)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (175600-09-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / CH₂Cl₂ / 1 h / Ambient temperature

2: 29 percent / N₂H₄*H₂O / ethanol / 12 h / Heating

With hydrazine hydrate; In ethanol; dichloromethane;

Reference yield:

4-chloro-aniline (106-47-8) → 3-Amino-2-(4-chloro-phenylamino)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (175600-09-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / CH₂Cl₂ / 1 h / Ambient temperature

2: 29 percent / N₂H₄*H₂O / ethanol / 12 h / Heating

With hydrazine hydrate; In ethanol; dichloromethane;

upstream raw materials:

ethyl 2-({[(4-chlorophenyl)amino]carbonothioyl}amino)-4,5-dimethylthiophene-3-carboxylate

ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate

4-chloro-aniline

4-Chlorophenyl isothiocyanate