2,4,6-Trichloro-5-propylpyrimidine

Base Information

• Chemical Name: 2,4,6-Trichloro-5-propylpyrimidine
• CAS No.: 58-81-1
• Molecular Formula: C₇H₇Cl₃N₂
• Molecular Weight: 225.505
• NSC Number: 66914
• DSSTox Substance ID: DTXSID60290127
• Wikidata: Q82027719
• ChEMBL ID: CHEMBL1975293
• Mol file: 58-81-1.mol

Synonyms:2,4,6-trichloro-5-propylpyrimidine;58-81-1;NSC66914;NCIMech_000228;NCIOpen2_002910;CHEMBL1975293;DTXSID60290127;CCG-35477;NSC-66914;Pyrimidine,4,6-trichloro-5-propyl-;2,4,6-Trichloro-5-n-propylpyrimidine;NCI60_024068;PD011759

Chemical Property of 2,4,6-Trichloro-5-propylpyrimidine

Chemical Property:

• PSA: 25.78000
• LogP: 3.38930
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.967481
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(N=C(N=C1Cl)Cl)Cl

Technology Process of 2,4,6-Trichloro-5-propylpyrimidine

There total 4 articles about 2,4,6-Trichloro-5-propylpyrimidine 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:

diethyl propylmalonate (2163-48-6) → 2,4,6-trichloro-5-propyl-pyrimidine (58-81-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethoxide / dimethylformamide

2: phosphoryl chloride, N,N-diethylaniline hydrochloride / butyl acetate / Heating

With sodium ethanolate; N,N-diethylaniline hydrochloride; trichlorophosphate; In acetic acid butyl ester; N,N-dimethyl-formamide;

DOI:10.1248/cpb.36.2673

Reference yield:

6-Hydroxy-5-propyl-1H-pyrimidine-2,4-dione → 2,4,6-trichloro-5-propyl-pyrimidine (58-81-1)

Guidance literature:

With N,N-diethylaniline hydrochloride; trichlorophosphate; In acetic acid butyl ester; Heating;

DOI:10.1248/cpb.36.2673

Reference yield:

5-propyl-barbitursaeure (6156-88-3) → 2,4,6-trichloro-5-propyl-pyrimidine (58-81-1)

Guidance literature:

With N,N-dimethyl-aniline; trichlorophosphate; for 1h; Reflux;

DOI:10.3390/molecules16064764

upstream raw materials:

diethyl propylmalonate

5-propyl-barbitursaeure

Downstream raw materials:

C₃₄H₃₂N₂O₉

6-(4-phenyl-1-piperazinyl)-5-(n-propyl)uracil

6-[4-(2-methoxyphenyl)-1-piperazinyl]-5-(n-propyl)uracil

6-[4-(3-trifluoromethylphenyl)-1-piperazinyl]-5-(n-propyl)uracil