5-Methyl-1-phenylpyrimidine-2,4(1h,3h)-dione

Base Information

• Chemical Name: 5-Methyl-1-phenylpyrimidine-2,4(1h,3h)-dione
• CAS No.: 1484-93-1
• Molecular Formula: C11H10 N2 O2
• Molecular Weight: 202.2093
• NSC Number: 114463
• DSSTox Substance ID: DTXSID00297135
• Nikkaji Number: J1.241.576A
• Wikidata: Q82038101
• Mol file: 1484-93-1.mol

Synonyms:1484-93-1;5-methyl-1-phenylpyrimidine-2,4(1h,3h)-dione;1-Phenylthymine;NSC114463;SCHEMBL7834516;DTXSID00297135;NSC-114463

Chemical Property of 5-Methyl-1-phenylpyrimidine-2,4(1h,3h)-dione

Chemical Property:

• Density: 1.248g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 317

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C(=O)NC1=O)C2=CC=CC=C2

Technology Process of 5-Methyl-1-phenylpyrimidine-2,4(1h,3h)-dione

There total 12 articles about 5-Methyl-1-phenylpyrimidine-2,4(1h,3h)-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: 99.0%

3-benzoyl-5-methyl-1-phenylpyrimidine-2,4(1H,3H)-dione → 5-methyl-1-phenylpyrimidine-2,4(1H,3H)-dione (1484-93-1)

Guidance literature:

With hydrazine hydrate; In methanol; at 100 ℃; for 4h;

DOI:10.1021/jo061694i

Reference yield: 97.0%

1-(3-ethoxy-2-methylacryloyl)-3-phenylurea (1193318-81-8) → 5-methyl-1-phenylpyrimidine-2,4(1H,3H)-dione (1484-93-1)

Guidance literature:

With Dowex 50 H-form; In 1,4-dioxane; at 90 ℃; for 3h;

DOI:10.1016/j.tet.2009.08.019

Reference yield: 59.0%

thymin (65-71-4,28806-14-6,691841-57-3) + phenylboronic acid (98-80-6) → 5-methyl-1-phenylpyrimidine-2,4(1H,3H)-dione (1484-93-1)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; copper diacetate; In methanol; water; at 20 ℃;

DOI:10.1002/hlca.200890107

upstream raw materials:

3-methoxy-N-(phenylaminocarbonyl)2-methyl-2-propenamide

Diphenyliodonium triflate

2,4-dihydroxy-5-methylpyrimidine

thymin

Refernces

• 1、 -. "COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS". Page/Page column 81. . Retrieved 2009/12/28.
• 2、 Tao, Lan,Yue, Yang,Zhang, Ji,Chen, Shan-Yong,Yu, Xiao-Qi. "A mild and efficient method for N-arylnucleobase synthesis via the cross-coupling reactions of nucleobases with arylboronic acids catalyzed by simple copper salts". scheme or table. p. 1008 - 1014. Retrieved 2009/02/07.