7Uug8LV9NV

Base Information

• Chemical Name: 7Uug8LV9NV
• CAS No.: 93456-61-2
• Molecular Formula: C12H12ClN3O
• Molecular Weight: 249.7
• UNII: 7UUG8LV9NV
• Mol file: 93456-61-2.mol

Synonyms:7UUG8LV9NV;93456-61-2;UNII-7UUG8LV9NV;Cytosine, 5-(p-chlorophenyl)-6-ethyl-;6-Amino-5-(4-chlorophenyl)-4-ethyl-2(1H)-pyrimidinone;2(1H)-Pyrimidinone, 6-amino-5-(4-chlorophenyl)-4-ethyl-;6-Amino-5-(4-chlorophenyl)-4-ethylpyrimidin-2(1H)-one trifluoroacetate salt;SCHEMBL8260735

Chemical Property of 7Uug8LV9NV

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.0668897
• Heavy Atom Count: 17
• Complexity: 381

Purity/Quality:

98% by HPLC ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(C(=NC(=O)N1)N)C2=CC=C(C=C2)Cl

Technology Process of 7Uug8LV9NV

There total 3 articles about 7Uug8LV9NV 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:

2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidine (58-14-0) → 2-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-4(3H)-one (91396-20-2) + 4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2(1H)-one (93456-61-2)

Guidance literature:

With hydrogenchloride; In water; for 18h; Heating;

DOI:10.1039/P19850002267

Reference yield:

→ 4-amino-5-(4-chloro-phenyl)-6-ethyl-1H-pyrimidin-2-one (93456-61-2)

Guidance literature:

4-Amino-2-carboxymethylthio-5-p-chlorphenyl-6-aethyl-pyrimidin, 1. konz. HCl, Δ, W.-Bad, 2 h, 2. W., Kochen;

DOI:10.1021/jo01032a047

Reference yield:

→ C12H12ClN3O (93456-61-2)

Guidance literature:

upstream raw materials:

2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidine

Downstream raw materials:

4-amino-5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidin-2(1H)-one

4-Amino-6-ethyl-5-(3-nitro-4-piperidin-1-yl-phenyl)-1H-pyrimidin-2-one