6-Amino-1-(4-chlorophenyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

Base Information

• Chemical Name: 6-Amino-1-(4-chlorophenyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
• CAS No.: 16837-11-9
• Molecular Formula: C10H8 Cl N3 O S
• Molecular Weight: 253.712
• NSC Number: 83729
• DSSTox Substance ID: DTXSID00168553

Synonyms:16837-11-9;6-Amino-1-(4-chlorophenyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone;NSC83729;6-amino-1-(4-chlorophenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;6-amino-1-(4-chlorophenyl)-2-sulfanylidenepyrimidin-4-one;6-amino-1-(4-chlorophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one;NSC 83729;4(1h)-pyrimidinone, 6-amino-1-(4-chlorophenyl)-2,3-dihydro-2-thioxo-;NCIOpen2_004636;SCHEMBL4500342;DTXSID00168553;HMS1601G20;NSC-83729;STK792195;AKOS003348675;AR-434/42595452;SR-01000296018;SR-01000296018-1;6-amino-1-(4-chlorophenyl)-2-thioxo-pyrimidin-4-one;F1967-0053

Chemical Property of 6-Amino-1-(4-chlorophenyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.56g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 253.0076608
• Heavy Atom Count: 16
• Complexity: 350

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C(=CC(=O)NC2=S)N)Cl

Technology Process of 6-Amino-1-(4-chlorophenyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

There total 2 articles about 6-Amino-1-(4-chlorophenyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone 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: 83.0%

ethyl 2-cyanoacetate (105-56-6) + N-(4-chlorophenyl)thiourea (3696-23-9) → 6-amino-1-(4-chloro-phenyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one (16837-11-9)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 0 - 5 ℃; for 17h; Heating;

Reference yield:

→ 6-amino-1-(4-chloro-phenyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one (16837-11-9)

Guidance literature:

/BRN= 205022/;

Reference yield: 89.0%

6-amino-1-(4-chloro-phenyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one (16837-11-9) → 6-amino-1-(4-chlorophenyl)-5-nitroso-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (900488-86-0)

Guidance literature:

With acetic acid; sodium nitrite; In water; at 20 - 75 ℃; for 1.25h;

upstream raw materials:

ethyl 2-cyanoacetate

N-(4-chlorophenyl)thiourea

Downstream raw materials:

6-amino-1-(4-chloro-phenyl)-1H-pyrimidine-2,4-dione

6-amino-1-(4-chlorophenyl)-5-nitroso-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

5,6-diamino-1-(4-chlorophenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

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