6-Chloro-1,3-dimethyluracil

Base Information

• Chemical Name: 6-Chloro-1,3-dimethyluracil
• CAS No.: 6972-27-6
• Molecular Formula: C6H7ClN2O2
• Molecular Weight: 174.587
• Hs Code.: 29335990
• European Community (EC) Number: 230-205-2
• NSC Number: 61919
• UNII: D2KV5G5M9F
• DSSTox Substance ID: DTXSID40220008
• Nikkaji Number: J208.385J
• Wikidata: Q72449645
• Mol file: 6972-27-6.mol

Synonyms:6-chloro-1,3-dimethyluracil

Chemical Property of 6-Chloro-1,3-dimethyluracil

Chemical Property:

• Appearance/Colour: white or light white crystal powder
• Vapor Pressure: 0.0906mmHg at 25°C
• Melting Point: 109-113 °C
• Refractive Index: 1.576
• Boiling Point: 224.6 °C at 760 mmHg
• PKA: -3.53±0.40(Predicted)
• Flash Point: 89.6 °C
• PSA: 44.00000
• Density: 1.43 g/cm³
• LogP: -0.26260
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• Water Solubility.: soluble
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 174.0196052
• Heavy Atom Count: 11
• Complexity: 249

Purity/Quality:

98% ^*data from raw suppliers

6-Chloro-1,3-dimethyluracil ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC(=O)N(C1=O)C)Cl
• Uses: 6-Chloro-1,3-dimethyluracil is a nucleobase constitute of nucleic acid. An intermediate for the synthesis of substituted uracils and derivatives.

Technology Process of 6-Chloro-1,3-dimethyluracil

There total 9 articles about 6-Chloro-1,3-dimethyluracil 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: 93.0%

1,3-dimethylbarbituric acid (769-42-6) → 1,3-Dimethyl-6-chlorouracil (6972-27-6)

Guidance literature:

With water; trichlorophosphate; Heating;

DOI:10.1007/BF00486922

Reference yield: 90.0%

6-chlorouracil (4270-27-3) + methyl bromide (74-83-9) → 1,3-Dimethyl-6-chlorouracil (6972-27-6)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In dichloromethane; at 20 ℃; for 48h;

Reference yield: 90.0%

methyl bromide (74-83-9) + 3-methyl-6-chlorouracil (4318-56-3) → 1,3-Dimethyl-6-chlorouracil (6972-27-6)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In dichloromethane; water; at 40 ℃;

DOI:10.1039/a906222j

upstream raw materials:

6-chloro-2,4-dimethoxypyrimidine

methyl iodide

1,3-dimethylbarbituric acid

6-chlorouracil

Downstream raw materials:

6-ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione

6-(2-hydroxyethylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dion

1,3-dimethyl-6-dimethylaminouracil

6-n-butylamino-1,3-dimethyluracil