6-(chloromethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
• CAS No.: 162284-62-0
• Molecular Formula: C7H9ClN2O2
• Molecular Weight: 188.61200
• European Community (EC) Number: 845-649-8
• DSSTox Substance ID: DTXSID90570065
• Nikkaji Number: J1.157.289H
• Wikidata: Q82457385
• Mol file: 162284-62-0.mol

Synonyms:162284-62-0;6-(chloromethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione;6-(CHLOROMETHYL)-1,3-DIMETHYLPYRIMIDINE-2,4-DIONE;6-(chloromethyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;SCHEMBL20515256;DTXSID90570065;MFCD08166704;AKOS000270714;SB55811;EN300-25386;G57613;Z203887052

Chemical Property of 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

Chemical Property:

• Melting Point: 86-88 °C
• Boiling Point: 259.9±42.0 °C(Predicted)
• PKA: -2.58±0.40(Predicted)
• PSA: 44.00000
• Density: 1.298±0.06 g/cm3(Predicted)
• LogP: -0.17720
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.0352552
• Heavy Atom Count: 12
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

6-(chloromethyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C(=CC(=O)N(C1=O)C)CCl

Technology Process of 6-(chloromethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

There total 1 articles about 6-(chloromethyl)-1,3-dimethylpyrimidine-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: 34.0%

benzoyl chloride (98-88-4) + (4,6-diaza-4,6-dimethyl-3,5-dioxocyclohex-1-enyl)dimethyloxosulfonium methanide (247219-91-6) → 6-Chloromethyl-1,3-dimethyl-1H,3H-pyrimidine-2,4-dione (162284-62-0) + 6-(α-chlorophenacyl)-1,3-dimethyluracil

Guidance literature:

In acetonitrile; for 1h; Heating;

DOI:10.1021/jo981906e

Reference yield: 92.0%

2-bromo-4,6-dimethylphenol (15191-36-3) + 6-Chloromethyl-1,3-dimethyl-1H,3H-pyrimidine-2,4-dione (162284-62-0) → 6-(2'-bromo-4'-methoxyphenoxymethyl)-1,3-dimethyl-1H-pyrimidine-2,4-dione (769923-11-7)

Guidance literature:

With potassium carbonate; In acetone; for 8h; Heating;

DOI:10.1055/s-2004-829133

Reference yield: 90.0%

2-bromo-p-cresol (6627-55-0) + 6-Chloromethyl-1,3-dimethyl-1H,3H-pyrimidine-2,4-dione (162284-62-0) → 6-(2'-bromo-4'-methylphenoxymethyl)-1,3-dimethyl-1H-pyrimidine-2,4-dione

Guidance literature:

With potassium carbonate; In acetone; for 8h; Heating;

DOI:10.1055/s-2004-829133

upstream raw materials:

benzoyl chloride

(4,6-diaza-4,6-dimethyl-3,5-dioxocyclohex-1-enyl)dimethyloxosulfonium methanide

Downstream raw materials:

6-(2'-bromo-6'-methylphenoxymethyl)-1,3-dimethyl-1H-pyrimidine-2,4-dione

6-(2'-bromo-4'-methoxyphenoxymethyl)-1,3-dimethyl-1H-pyrimidine-2,4-dione

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